3052762 -OEChem-10051722053D 51 53 0 0 0 0 0 0 0999 V2000 6.5693 0.2796 -0.3970 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9071 -1.0700 0.1739 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8829 -1.5559 -0.9931 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8436 2.6079 -1.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 1.1702 0.6214 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4212 1.5769 0.2277 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4194 -2.4508 0.3122 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 2.5332 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 2.1535 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 2.6582 1.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 0.9430 -0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 1.4306 1.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 0.0280 0.9302 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0585 -0.2166 -0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 1.6995 -0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5829 0.6356 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9833 -1.3879 0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2046 -0.6565 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1339 -1.6675 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4322 -2.9106 0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0077 -2.5138 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 0.9003 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4889 -1.4168 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 -0.1195 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7635 -2.6506 -0.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2124 3.5068 -0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2804 3.0090 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 1.9427 -1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 2.8072 2.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0575 3.5483 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8694 0.0388 -0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 0.8322 -1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8564 1.6278 2.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 0.5554 1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4794 -0.8773 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6407 0.2337 1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2896 0.7791 0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 -0.4768 -1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6566 0.6817 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3976 -2.3046 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5521 -1.1910 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 -3.8006 0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5136 -3.0731 1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2703 -2.9148 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7553 -2.8833 -0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 1.9062 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1061 -3.3843 0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4088 -2.2620 0.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1998 -3.5840 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3691 -2.4852 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4309 -2.7301 -1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 17 1 0 0 0 0 3 25 1 0 0 0 0 4 15 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 37 1 0 0 0 0 7 23 1 0 0 0 0 7 47 1 0 0 0 0 7 48 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 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 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 M END > DB06480 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZPMNHBXQOOVQJL-UHFFFAOYSA-N/SDF?record_type=3d > COCCCN1CCC(CC1)NC(=O)C1=C2OCCC2=C(N)C(Cl)=C1 > InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23) > ZPMNHBXQOOVQJL-UHFFFAOYSA-N > C18H26ClN3O3 > 367.87 > 367.1662694 > 5 > 51 > 39.08362140286042 > 1 > 2 > 0 > 1 > 4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide > 2.09 > 0.7446884966666674 > -3.46 > 1 > 3 > 1 > 18.506718370136216 > 14.644509322618454 > 8.979797321898948 > 76.82 > 100.67109999999997 > 6 > 1 > 1.29e-01 g/l > prucalopride > 0 $$$$