12773795 -OEChem-02092011573D 39 41 0 1 0 0 0 0 0999 V2000 -2.6837 -0.0751 -2.6813 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.0333 -3.4822 0.7598 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0526 -2.6454 0.4920 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 0.4256 0.0293 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3388 3.2083 0.4814 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 5.0117 -0.3053 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0854 0.9295 -0.2448 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3404 2.1605 0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 -0.1809 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 -0.6665 -0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8416 -0.6821 -1.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2249 -0.6790 1.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9102 -1.1575 -0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8051 3.3258 1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 4.2315 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 -1.7070 -0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1394 -1.7037 1.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9051 -2.2178 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4108 4.4523 0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0185 -0.6199 -1.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -2.1553 0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2995 -1.0799 -0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3638 -2.6153 0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4723 -2.0776 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0715 1.2942 -1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3187 2.6049 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3316 1.9082 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1482 -1.5108 -0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.3471 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6275 -0.3065 2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 2.6320 1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2094 4.3645 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3541 -2.1092 -1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2421 -2.0949 2.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 4.8887 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 0.1595 -1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2274 -2.5803 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 -0.6512 -1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4831 -3.3927 1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 18 1 0 0 0 0 3 24 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 15 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 12 30 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 19 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 M END > DB07705 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LEZWWPYKPKIXLL-GOSISDBHSA-N/SDF?record_type=3d > ClC1=CC=C(CO[C@H](CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1 > InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m1/s1 > LEZWWPYKPKIXLL-GOSISDBHSA-N > C18H15Cl3N2O > 381.684 > 380.024996233 > 2 > 39 > 0.23071069947030176 > 37.537095014583684 > 1 > 0 > 0 > 1 > 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole > 4.67 > 5.352323684 > -5.41 > 1 > 0 > 3 > 0 > 6.476978043682043 > 27.05 > 98.2628 > 6 > 0 > 1.48e-03 g/l > 6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7-one > 1 $$$$