59657596 -OEChem-10051722523D 59 63 0 0 0 0 0 0 0999 V2000 -4.0569 -4.3461 -1.1607 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7504 2.0402 -0.2167 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1938 0.2860 3.4955 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8935 0.9609 1.5387 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4524 0.4967 0.6778 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9250 2.1421 -1.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3594 0.6613 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2983 0.4484 1.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 0.4253 -0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4534 -0.1395 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8889 1.2333 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 1.2488 2.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4886 0.7088 -0.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1454 2.1017 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5426 -1.5056 -0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1911 0.4919 2.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 0.2248 -1.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 0.2006 1.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6967 -2.0093 -1.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7405 -1.1488 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8518 -1.0274 0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 1.1181 1.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1156 -0.8142 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 1.1406 0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -2.3036 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8257 -1.8175 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6682 1.5057 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9647 -3.3167 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2247 -3.0752 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9760 1.1395 -1.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7576 2.9294 -2.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 0.7492 2.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1496 -0.6170 1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7223 -0.6395 -0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0063 0.7081 -1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0762 1.0003 -0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0544 2.3091 -0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 2.3259 2.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 1.0137 3.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7243 2.4493 0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2488 2.7947 -1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7416 -2.1755 -0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4505 0.8903 -1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7897 -3.0767 -1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6335 -1.5566 -2.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5273 2.1580 1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4967 0.4539 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8135 2.0380 0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2839 -2.5062 1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8339 2.2052 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4484 0.6380 -1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8079 -1.6272 -0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5043 -4.2985 0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1853 0.5972 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7236 0.4099 -2.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9176 1.6240 -2.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0175 3.7235 -2.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6962 3.4266 -3.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4376 2.3125 -3.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 16 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 27 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 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 12 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 15 2 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 46 1 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 28 2 0 0 0 0 25 49 1 0 0 0 0 26 29 2 0 0 0 0 26 52 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 M END > DB12721 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QZXVLRCMAHJVIP-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CCN1C=C(C(=O)N2CCC3(CC2)OCC2=CC=CC=C32)C2=CC=C(Cl)C=C12 > InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3 > QZXVLRCMAHJVIP-UHFFFAOYSA-N > C25H28ClN3O2 > 437.97 > 437.1870049 > 3 > 59 > 49.2687575196519 > 1 > 0 > 0 > 1 > {2-[6-chloro-3-({3H-spiro[2-benzofuran-1,4'-piperidine]-1'-yl}carbonyl)-1H-indol-1-yl]ethyl}dimethylamine > 3.73 > 3.5770207276666666 > -4.82 > 0 > 5 > 1 > 9.150974268740338 > 37.71000000000001 > 125.26919999999996 > 4 > 1 > 6.67e-03 g/l > {2-[6-chloro-3-({3H-spiro[2-benzofuran-1,4'-piperidine]-1'-yl}carbonyl)indol-1-yl]ethyl}dimethylamine > 1 $$$$