Mrv1909 11302218232D 30 33 0 0 0 0 999 V2000 -1.4287 -2.4748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4287 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 -2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4287 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4287 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4287 2.4749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 2.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 3.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 3.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4287 -2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -3.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 -3.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4287 -3.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 -3.7123 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 1 10 1 0 0 0 0 5 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 20 1 0 0 0 0 17 18 1 0 0 0 0 14 17 1 0 0 0 0 4 11 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 24 29 2 0 0 0 0 27 30 1 0 0 0 0 22 23 1 0 0 0 0 2 22 1 0 0 0 0 M END > DB16458 > drugbank > CC(C)(C)NC1CCN(CC1)C1=CC(NCC2=CC=C(Cl)C=C2)=NC2=CC=CC=C12 > InChI=1S/C25H31ClN4/c1-25(2,3)29-20-12-14-30(15-13-20)23-16-24(28-22-7-5-4-6-21(22)23)27-17-18-8-10-19(26)11-9-18/h4-11,16,20,29H,12-15,17H2,1-3H3,(H,27,28) > QVXSJSXAVQJXOV-UHFFFAOYSA-N > C25H31ClN4 > 423.0 > 422.2237247 > 4 > 61 > 2.000225098002567 > 48.18044938354235 > 1 > 2 > 0 > 1 > 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]quinolin-2-amine > 5.95 > 5.332415618333335 > -5.17 > 1 > 2 > 4 > 2 > 10.612388544294625 > 40.190000000000005 > 128.2946 > 6 > 0 > 2.88e-03 g/l > 4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]quinolin-2-amine > 0 > DB16458 > investigational > Ezurpimtrostat > Chloroquine analog $$$$