24851689 -OEChem-10051721153D 40 43 0 1 0 0 0 0 0999 V2000 -6.1077 -0.4896 0.8788 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 2.9411 -1.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1603 0.9823 -0.5774 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7182 -0.3712 1.6724 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4623 1.5839 -0.2657 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9903 -2.1396 -2.7452 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2039 -0.3586 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -1.1863 -0.2871 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2605 -0.1595 1.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4932 -1.1061 -0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2926 -0.3045 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5834 0.4452 2.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -0.4895 0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2056 1.0587 -0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 1.7660 -0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6508 -0.6147 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3612 0.5880 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9562 -1.7202 -1.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3501 -1.8007 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8094 2.9825 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7391 0.6613 0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7281 -1.7411 0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4099 -0.5278 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -2.0316 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4436 0.4853 1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 -1.1287 2.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -2.1519 -0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5849 -1.1207 -1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0441 1.4331 -0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 1.4718 1.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5817 0.5065 3.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6273 -1.1225 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9694 0.4917 -0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 -1.3029 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8323 -2.7543 0.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 3.1666 -0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6632 3.2608 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1588 3.5708 0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2787 1.6010 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2581 -2.6620 0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 15 2 0 0 0 0 3 7 1 0 0 0 0 3 15 1 0 0 0 0 3 29 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 34 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 6 18 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 M END > DB08166 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LPFQFJAOMCGYCP-GFCCVEGCSA-N/SDF?record_type=3d > [H][C@@]1(C#N)C2=C(N(C)C3=CC(Cl)=CC=C23)C(=O)NC11CCNCC1 > InChI=1S/C17H17ClN4O/c1-22-13-8-10(18)2-3-11(13)14-12(9-19)17(4-6-20-7-5-17)21-16(23)15(14)22/h2-3,8,12,20H,4-7H2,1H3,(H,21,23)/t12-/m1/s1 > LPFQFJAOMCGYCP-GFCCVEGCSA-N > C17H17ClN4O > 328.796 > 328.109088893 > 3 > 40 > 0.9990027869035709 > 34.451431075648955 > 1 > 2 > 0 > 1 > (4'R)-7'-chloro-9'-methyl-1'-oxo-1',2',4',9'-tetrahydrospiro[piperidine-4,3'-pyrido[3,4-b]indole]-4'-carbonitrile > 1.32 > 0.9380622843333343 > -3.37 > 0 > 1 > 4 > 1 > 19.884059580705955 > 12.885282510849239 > 10.001346068669976 > 69.85 > 89.1194 > 0 > 1 > 1.41e-01 g/l > biotin > 0 $$$$