154059 -OEChem-10151816053D 53 57 0 1 0 0 0 0 0999 V2000 1.2996 -0.8132 0.5466 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -2.8568 -0.4395 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5264 -0.4503 -0.8356 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8045 -1.4232 -0.1954 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3787 0.0726 1.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 -1.1066 0.7261 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3460 1.2966 0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8507 -0.3127 1.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3662 -1.3490 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0471 0.9488 -0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4824 -0.6410 0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 -1.7854 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3781 -0.2266 0.4849 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7098 -2.3871 -0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8999 -0.1991 0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -1.7510 -1.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6563 -0.9151 -0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8198 1.0765 -0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5666 0.5743 1.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0539 -0.8260 -0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7079 2.1932 0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4288 1.1329 -1.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9598 0.6451 1.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7024 -0.0505 0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 3.3830 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0813 2.3227 -1.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1966 3.4478 -1.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8857 0.3086 2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7738 -1.9994 1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 1.6034 0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8513 2.1446 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3936 0.5127 2.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9265 -1.1798 2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7139 -2.3882 -0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6804 -1.2122 -1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 1.1170 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 1.6309 -0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3679 -0.0136 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 -1.6744 0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0246 -0.3157 1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9962 -3.1018 -0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 -2.9526 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6061 -2.5420 -1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6733 -1.1115 -2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0114 1.1215 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6448 -1.3657 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9898 2.1566 1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5172 0.2800 -2.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4649 1.2455 2.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7867 0.0094 0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1029 4.2574 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 2.3739 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 4.3736 -1.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 28 1 0 0 0 0 6 9 1 0 0 0 0 6 29 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 22 26 2 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END > DB01591 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FBOUYBDGKBSUES-VXKWHMMOSA-N/SDF?record_type=3d > O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1 > InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1 > FBOUYBDGKBSUES-VXKWHMMOSA-N > C23H26N2O2 > 362.473 > 362.199428085 > 2 > 53 > 40.12914325404717 > 1 > 0 > 0 > 1 > (3R)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate > 3.90 > 3.960605752666667 > -3.70 > 0 > 5 > 1 > 8.883552949004981 > 32.78 > 106.05820000000001 > 3 > 1 > 7.29e-02 g/l > solifenacin > 1 $$$$