16061509 -OEChem-10051722433D 51 54 0 0 0 0 0 0 0999 V2000 1.8306 -3.2651 -0.4383 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7354 2.6871 -0.3534 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4064 1.0022 -0.0953 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 -1.0028 -0.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5106 0.1475 0.0366 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3529 1.8370 0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8028 1.8105 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9779 3.0276 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7447 -0.4259 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 1.2285 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 -1.2629 -0.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0386 0.4166 -0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5328 -2.0743 -0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1299 -1.7757 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9544 -0.9067 0.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7549 1.3976 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9287 0.3730 0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -1.2104 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7965 -1.6282 -1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2666 -1.6421 1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3611 2.4857 -0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4834 1.4846 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1287 -1.3448 -0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 -1.3590 1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1268 1.9057 1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5158 1.8739 1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1533 1.2390 -0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 3.2400 -0.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1361 3.9076 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7691 -0.6076 -0.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6841 -0.7646 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8859 0.9607 1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 2.2916 0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9465 -1.0170 -1.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 -2.3258 -0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 0.5662 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 0.7652 -1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -1.8340 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0562 -0.6357 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7045 1.2936 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 1.7256 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 0.6553 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5068 -0.5417 0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4941 -1.7335 -2.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4517 -1.7554 2.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8381 3.4333 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2737 2.2391 -1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4684 1.2025 -1.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5228 1.6945 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8389 -1.2459 -1.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8961 -1.2576 2.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 21 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 22 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 M END > DB12299 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BGBVSGSIXIIREO-UHFFFAOYSA-N/SDF?record_type=3d > O=C(N1CCN(CC1)C1CC1)C1=CC=C(CN2CCOCC2)C=C1 > InChI=1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2 > BGBVSGSIXIIREO-UHFFFAOYSA-N > C19H27N3O2 > 329.444 > 329.210327121 > 4 > 51 > 38.1574872756981 > 1 > 0 > 0 > 1 > 4-{[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]methyl}morpholine > 1.76 > 1.3068186726666666 > -2.13 > 0 > 4 > 1 > 7.105204282948847 > 36.02 > 95.8083 > 4 > 1 > 2.46e+00 g/l > 4-{[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]methyl}morpholine > 1 $$$$