4177 -OEChem-09041916343D 40 43 0 1 0 0 0 0 0999 V2000 0.7081 -2.4763 -1.4926 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 -0.6336 -1.2067 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1574 0.2302 -2.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7646 1.5875 2.8007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 1.6151 -0.3713 N 0 0 2 0 0 0 0 0 0 0 0 0 0.2379 0.5886 2.3061 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3003 0.3335 -0.6386 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8089 2.4074 -1.5905 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8781 1.3271 -2.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1047 0.2369 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6356 2.3461 0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1627 -0.9023 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 3.4802 -1.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2734 0.2455 1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7984 1.4626 2.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 -0.0184 -0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 -2.1888 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 -0.6972 0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5039 -0.1089 1.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4794 -0.3133 -0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6051 -0.3784 1.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5712 -3.2787 -0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1618 -1.7870 0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7688 -3.0778 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1934 2.8567 -1.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9026 0.9971 -2.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 1.6254 -3.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 3.1993 0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3805 2.7583 0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7463 3.9433 -2.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8781 3.0637 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7885 4.2726 -1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 0.0068 -1.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2972 0.2097 3.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7389 0.2810 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -0.1368 3.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5563 -0.6259 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2793 -4.2907 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0989 -1.6306 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3963 -3.9260 0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 15 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 34 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 19 1 0 0 0 0 16 20 2 0 0 0 0 16 33 1 0 0 0 0 17 22 2 0 0 0 0 18 23 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END > DB15489 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ANUCDXCTICZJRH-UHFFFAOYSA-N/SDF?record_type=3d > CC1COC2(N1CC(O)=NC1=C2C=C(Cl)C=C1)C1=CC=CC=C1Cl > InChI=1S/C18H16Cl2N2O2/c1-11-10-24-18(13-4-2-3-5-15(13)20)14-8-12(19)6-7-16(14)21-17(23)9-22(11)18/h2-8,11H,9-10H2,1H3,(H,21,23) > ANUCDXCTICZJRH-UHFFFAOYSA-N > C18H16Cl2N2O2 > 363.238 > 362.05888318 > 4 > 40 > 35.530692859628076 > 1 > 1 > 0 > 1 > 13-chloro-2-(2-chlorophenyl)-5-methyl-3-oxa-6,9-diazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),8,11,13-tetraen-8-ol > 3.47 > 5.271960726666666 > -4.46 > 0 > 4 > 0 > 3.761206147702594 > 1.684437338151587 > 45.06 > 96.2204 > 1 > 0 > 1.26e-02 g/l > 13-chloro-2-(2-chlorophenyl)-5-methyl-3-oxa-6,9-diazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),8,11,13-tetraen-8-ol > 0 $$$$