60149 -OEChem-10051720493D 57 61 0 0 0 0 0 0 0999 V2000 3.2285 -5.5689 0.1795 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9974 4.2057 0.1866 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.2205 2.4999 -0.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0964 0.0797 -0.4966 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1439 0.2697 -0.0067 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6691 0.5198 0.4518 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8323 0.9276 -0.0647 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -0.8930 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1105 -0.2834 0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9109 -0.3606 -1.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -0.4807 0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4276 -0.5554 -1.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 -0.6954 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5477 -0.0657 -0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 -1.7188 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2394 0.6271 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8017 0.5151 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 -1.0862 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3976 -0.6464 0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0849 -3.1266 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8604 -0.3095 0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 -1.7937 0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1207 1.2680 0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5306 1.4445 -0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -3.8473 0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5047 -3.1891 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8068 2.5043 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 1.0065 -0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7820 3.5005 0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3641 2.0026 -0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 3.2497 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -1.9740 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8923 0.7898 1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7791 -0.7435 1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4383 -0.8749 -2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6786 0.7066 -1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0515 0.0291 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8675 -1.5472 0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6591 -1.6279 -1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7854 -0.1075 -2.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8359 -1.1247 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8937 0.3876 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9943 0.2083 1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 1.6920 0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 1.5154 -0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1888 -0.8187 1.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0836 -1.5191 0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -3.6455 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3760 -1.0747 0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4048 -0.1407 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5469 -1.3427 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6567 1.3977 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4267 -3.7559 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 2.7301 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6475 0.1174 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 4.4699 1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3510 1.8190 -0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 31 1 0 0 0 0 3 24 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 23 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 24 1 0 0 0 0 7 21 1 0 0 0 0 7 24 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 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 18 2 0 0 0 0 15 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 25 2 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 26 2 0 0 0 0 22 51 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 25 26 1 0 0 0 0 26 53 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 M END > DB06144 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GZKLJWGUPQBVJQ-UHFFFAOYSA-N/SDF?record_type=3d > FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2 > InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31) > GZKLJWGUPQBVJQ-UHFFFAOYSA-N > C24H26ClFN4O > 440.941 > 440.177917386 > 2 > 57 > 0.9732650353003746 > 47.1787559016537 > 1 > 1 > 0 > 0 > 1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]piperidin-1-yl}ethyl)imidazolidin-2-one > 4.29 > 4.152646235000001 > -4.66 > 0 > 1 > 5 > 1 > 14.329523729627782 > 8.56115051621102 > 40.510000000000005 > 131.7697 > 5 > 1 > 9.63e-03 g/l > biotin > 0 $$$$