154575 -OEChem-10051719423D 43 45 0 0 0 0 0 0 0999 V2000 3.4962 -0.5983 2.6405 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8262 1.1306 -2.5045 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0514 0.5587 -0.2846 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1718 -1.9433 0.1758 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0598 -2.3487 -0.6672 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 -0.1350 0.0963 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9051 1.1501 0.0081 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8416 1.6063 0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1445 1.9025 1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 2.9127 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9383 2.7710 0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9146 3.3952 -0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2546 -0.5492 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8216 -1.7982 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8751 -0.4076 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0533 -1.5279 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9998 -2.9186 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6156 -2.7833 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -1.3873 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8926 -2.2074 -1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 0.2987 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0567 0.1271 1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7618 0.8882 -1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3677 0.5682 1.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 1.2954 -1.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0523 1.3617 1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9446 2.4739 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7006 0.9991 1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8561 2.7927 -0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1241 3.6435 0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5174 3.5332 0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6476 2.1587 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1033 3.0536 -1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9739 4.4882 -0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4662 0.5747 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4311 -3.8993 0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0069 -3.6681 0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 0.4900 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7654 -1.3870 -1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9539 -2.2928 -0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5608 -3.1497 -1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0533 0.4677 1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5503 1.7657 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 19 2 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 6 38 1 0 0 0 0 7 24 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END > DB01791 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RRRUXBQSQLKHEL-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl > InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23) > RRRUXBQSQLKHEL-UHFFFAOYSA-N > C18H18Cl2N2O3 > 381.253 > 380.069447866 > 4 > 43 > 2.472619136950013e-05 > 36.680876847886466 > 1 > 1 > 0 > 1 > 3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide > 4.65 > 4.094906882666667 > -4.80 > 0 > 0 > 3 > 0 > 13.425790697665262 > 2.399708036486604 > 60.45 > 98.38380000000001 > 5 > 1 > 6.10e-03 g/l > biotin > 0 $$$$