60863 Wcorina 10100417263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 61 65 0 1 0 0 0 0 0999 V2000 0.1941 -2.3686 1.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 1.3381 0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0565 -0.5939 -0.0112 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4747 -1.2550 2.6292 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7529 -0.0409 3.2961 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 -10.6583 -3.7015 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0054 -2.2118 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -8.1131 -1.0838 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 -14.0010 -5.6568 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5897 -12.1622 -5.2714 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2926 -0.7753 0.0102 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4327 -3.1610 -1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -4.5091 -0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2205 -4.3061 0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3023 -2.8761 0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0879 -0.4233 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9789 -5.7628 -1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 -6.8419 -0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3868 -5.3921 1.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4547 -1.1090 1.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3073 -6.6478 0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1877 -9.2479 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 -10.5014 -1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 -12.0197 -2.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -12.8166 -2.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8599 -10.8567 -2.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5801 -12.4449 -3.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -0.7623 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1647 -11.2824 -0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3155 -13.6193 -4.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 -12.4209 -1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 -13.9883 -3.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -14.3700 -4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 -11.6877 -4.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 -13.2614 -5.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2448 -13.7271 -6.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8762 -0.5150 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -3.1873 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0121 -2.8782 -1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5436 -0.7641 2.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 0.6567 1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5075 -5.9128 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9163 -5.2453 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9989 -0.7681 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3176 -2.1890 1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 -7.4861 1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9233 -8.2485 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2582 -9.0630 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -9.3704 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7293 -10.2427 -2.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8629 -10.9815 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 -13.0163 -1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5776 -14.5931 -3.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 1.7888 0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -15.2734 -4.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -14.8127 -6.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9379 -1.0047 3.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9437 -13.2972 -7.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2587 -13.4063 -6.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2138 -14.8147 -7.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 21 1 0 0 0 0 2 55 1 0 0 0 0 3 21 2 0 0 0 0 4 29 1 0 0 0 0 4 58 1 0 0 0 0 5 29 2 0 0 0 0 6 35 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 18 1 0 0 0 0 8 23 1 0 0 0 0 8 48 1 0 0 0 0 9 31 1 0 0 0 0 9 36 1 0 0 0 0 9 57 1 0 0 0 0 10 35 1 0 0 0 0 10 36 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 19 22 2 0 0 0 0 19 44 1 0 0 0 0 20 29 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 27 2 0 0 0 0 24 30 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 32 1 0 0 0 0 26 33 1 0 0 0 0 27 51 1 0 0 0 0 28 31 2 0 0 0 0 28 35 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 34 1 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 54 1 0 0 0 0 34 56 1 0 0 0 0 36 37 1 0 0 0 0 37 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 M END > 60863 > 1 > 969 > 7 > 4 > 8 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAAwYMEAAAAAAFjBVAAAHgAQCAAADCjBmAQzyMPAAgCoAifyfACCAAElAgAJiIGYZMgKIDrA3bGEYYhklgDYyce8r8CeyAACQAASAACQAASAACQAAAAAAAAAAA== > (2S)-2-[5-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]-1-oxo-isoindolin-2-yl]pentanedioic acid > (2S)-2-[6-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic acid > (2S)-2-[6-[(3-methyl-1-oxo-4H-benzo[f]quinazolin-9-yl)methylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic acid > (2S)-2-[6-[(3-methyl-1-oxidanylidene-4H-benzo[f]quinazolin-9-yl)methylamino]-3-oxidanylidene-1H-isoindol-2-yl]pentanedioic acid > (2S)-2-[1-keto-5-[(1-keto-3-methyl-4H-benzo[f]quinazolin-9-yl)methylamino]isoindolin-2-yl]glutaric acid > InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1 > BRVFNEZMTRVUGW-QFIPXVFZSA-N > 1.9 > 500.169585 > C27H24N4O6 > 500.50266 > CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC5=C(C=C4)C(=O)N(C5)C(CCC(=O)O)C(=O)O > CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC5=C(C=C4)C(=O)N(C5)[C@@H](CCC(=O)O)C(=O)O > 148 > 500.169585 > 0 > 37 > 1 > 0 > 0 > 0 > 0 > 1 > 30 > 1 5 255 > 10 35 8 10 36 8 11 16 6 13 14 8 13 17 8 14 19 8 17 18 8 18 22 8 19 22 8 24 27 8 24 30 8 25 26 8 25 27 8 25 28 8 26 32 8 26 33 8 28 31 8 28 35 8 30 32 8 31 34 8 33 34 8 9 31 8 9 36 8 $$$$