49867154 -OEChem-10051720293D 71 75 0 1 0 0 0 0 0999 V2000 -4.8447 -1.9571 -3.8882 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.9767 2.9256 1.2879 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -1.2860 -1.4504 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 0.2304 1.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2928 2.9564 -2.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2847 -0.3932 0.1389 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8297 -2.7082 0.1688 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3116 1.7637 0.6584 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -5.1590 1.2588 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0881 -0.5237 0.6116 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3225 0.8527 1.2739 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5793 0.9777 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0374 -0.8840 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0071 -1.4556 -0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 1.3715 1.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8549 -3.9245 -0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7671 -2.9436 1.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 1.4856 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8572 -3.9259 2.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9576 -4.8680 -0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 -1.5609 -0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7166 -0.5388 -1.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1997 2.1563 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 1.0670 2.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0642 1.0943 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 2.3709 -1.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0947 -1.8920 -1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 -0.8704 -2.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5094 2.6363 0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9035 1.5473 2.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -1.5468 -2.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2315 1.5887 -0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 2.8654 -2.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3613 2.3318 1.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1539 2.4742 -1.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8299 0.7027 2.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 0.6909 3.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0495 -0.1670 2.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5316 2.5151 -1.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1593 -1.3090 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0073 0.7772 2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 -3.3511 1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8956 -2.0007 2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1289 -4.3996 -0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9942 -3.6744 -1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 -5.8052 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9445 -4.4293 -0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7317 -4.1716 3.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 -3.4609 1.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9203 -5.6203 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4858 -1.8384 0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8173 0.0102 -2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5545 2.4023 -0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2501 0.4540 3.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7781 2.6812 -1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0173 -2.4197 -1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 -0.5903 -3.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8528 3.2456 -0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5563 1.3016 3.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1748 1.2443 -0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 3.5542 -2.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 1.7398 2.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7415 -0.1436 1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5864 0.1631 3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7571 -1.2144 2.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9947 1.3272 3.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 1.0471 4.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -0.3185 3.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6441 2.8343 -0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6646 1.4346 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3308 3.0003 -2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 34 1 0 0 0 0 3 14 2 0 0 0 0 4 25 1 0 0 0 0 4 36 1 0 0 0 0 5 35 1 0 0 0 0 5 39 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 40 1 0 0 0 0 11 15 1 0 0 0 0 11 41 1 0 0 0 0 12 18 1 0 0 0 0 13 21 2 0 0 0 0 13 22 1 0 0 0 0 15 23 2 0 0 0 0 15 24 1 0 0 0 0 16 20 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 27 1 0 0 0 0 21 51 1 0 0 0 0 22 28 2 0 0 0 0 22 52 1 0 0 0 0 23 29 1 0 0 0 0 23 53 1 0 0 0 0 24 30 2 0 0 0 0 24 54 1 0 0 0 0 25 32 1 0 0 0 0 26 33 2 0 0 0 0 26 55 1 0 0 0 0 27 31 2 0 0 0 0 27 56 1 0 0 0 0 28 31 1 0 0 0 0 28 57 1 0 0 0 0 29 34 2 0 0 0 0 29 58 1 0 0 0 0 30 34 1 0 0 0 0 30 59 1 0 0 0 0 32 35 2 0 0 0 0 32 60 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 62 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 M END > DB04144 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZXIPEZDMQNYFOO-WUFINQPMSA-N/SDF?record_type=3d > [H][C@]1(N=C(N(C(=O)N2CCNCC2)[C@]1([H])C1=CC=C(Cl)C=C1)C1=C(OC(C)C)C=C(OC)C=C1)C1=CC=C(Cl)C=C1 > InChI=1S/C30H32Cl2N4O3/c1-19(2)39-26-18-24(38-3)12-13-25(26)29-34-27(20-4-8-22(31)9-5-20)28(21-6-10-23(32)11-7-21)36(29)30(37)35-16-14-33-15-17-35/h4-13,18-19,27-28,33H,14-17H2,1-3H3/t27-,28+/m0/s1 > ZXIPEZDMQNYFOO-WUFINQPMSA-N > C30H32Cl2N4O3 > 567.506 > 566.185146324 > 5 > 71 > 0.868572320549441 > 59.50514608653998 > 0 > 1 > 0 > 0 > 1-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazole-1-carbonyl]piperazine > 5.19 > 5.913471532000001 > -5.78 > 1 > 1 > 5 > 1 > 7.818084383581598 > 66.4 > 154.07829999999996 > 6 > 0 > 9.43e-04 g/l > biotin > 0 $$$$