5282459 -OEChem-10051722413D 61 63 0 0 0 0 0 0 0999 V2000 -6.3083 -2.0942 0.2679 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0881 1.0116 -2.4399 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 -2.3738 0.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4112 2.3478 0.8107 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3524 -0.2415 1.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7033 -0.9274 0.3531 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9504 0.1098 0.5272 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2451 -0.4381 -1.0392 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2587 -0.0380 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7316 1.4843 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9948 1.2450 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8709 2.2709 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6156 0.1325 -0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4108 -1.1020 1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7568 -0.6260 1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 -0.1870 -1.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3106 -1.4451 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0717 -0.9500 0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0974 0.1682 -1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2029 -0.2240 -0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1886 0.6821 -0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 0.4402 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3505 1.5167 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0118 -0.8651 -0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 -1.0941 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6306 1.2877 0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1013 -0.0176 0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 -3.4162 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8544 3.6490 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4187 -0.3055 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1054 -0.1290 -1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7635 -0.9383 0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 1.5029 2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7584 1.8605 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7652 1.5047 -0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4708 1.1465 1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5924 2.5872 -0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1395 3.1606 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3939 1.0997 -0.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 0.2372 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4764 -1.9187 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1382 -0.1898 1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6955 -1.3099 2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6691 0.3804 1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 -1.0899 -2.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4499 0.6355 -2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 -1.5221 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 -2.4142 -0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3175 -1.2335 -0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0164 1.6906 -1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9347 2.5108 -0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3747 -1.6808 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3666 -4.3646 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6308 -3.3771 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9428 -3.4293 0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6511 3.8623 -0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6109 4.3694 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9751 3.8016 1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2600 -1.1273 -0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5115 0.6412 -0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3486 -0.4884 0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 19 2 0 0 0 0 3 25 1 0 0 0 0 3 28 1 0 0 0 0 4 26 1 0 0 0 0 4 29 1 0 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 17 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 M END > DB12123 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RCUDFXMNPQNBDU-VOTSOKGWSA-N/SDF?record_type=3d > COC1=CC(\C=C\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)=CC(OC)=C1OC > InChI=1S/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3/b7-6+ > RCUDFXMNPQNBDU-VOTSOKGWSA-N > C22H31N3O5 > 417.506 > 417.22637111 > 6 > 61 > 46.38627961986778 > 1 > 0 > 0 > 1 > (2E)-1-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one > 1.67 > 0.6747918523333332 > -2.92 > 1 > 3 > 0 > 5.914866733729342 > 71.55 > 115.35639999999995 > 7 > 1 > 5.02e-01 g/l > cinepazide > 0 $$$$