6450807 -OEChem-06141818403D 75 78 0 0 0 0 0 0 0999 V2000 -9.9569 -0.4801 -0.6912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6936 -0.7373 0.1543 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5149 1.4719 0.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5501 -4.5048 -0.4131 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 3.8866 0.0976 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6441 -0.4655 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7293 0.9042 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6428 -1.4969 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9449 1.6685 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3494 0.4563 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 -3.4945 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5827 -4.7121 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7870 0.5343 0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3076 3.1512 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6286 -2.3467 -1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6227 -1.6461 0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4149 3.8732 -1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2793 2.4780 1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 1.6004 -0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5941 -3.3454 -1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5883 -2.6449 0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4605 3.2193 1.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9732 2.3417 -0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5794 -0.4294 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3846 1.5735 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6824 -3.6797 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1218 -6.1310 0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2640 2.6113 -0.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2784 5.1270 -0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5669 0.6848 0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9693 -0.3542 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7745 1.6487 1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0162 0.7652 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8809 -0.2539 0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3657 -0.1264 0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3738 -0.3794 -0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9421 -0.7676 -1.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1127 -1.6580 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1949 -4.6376 1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8745 -2.2436 -1.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -0.9980 1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8914 3.9125 -1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 2.5410 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5455 0.9829 -1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 -5.0433 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5725 -4.0007 -2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3191 -2.7167 1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7267 4.4032 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 3.8457 2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 2.2535 -1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 -1.2417 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7854 2.3332 1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4928 -3.8304 1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3303 -2.6507 0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1132 -3.7626 -0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5479 -6.3102 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3241 -6.8665 0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9039 -6.3205 1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9920 2.5882 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 1.6946 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 2.5690 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 5.1795 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6588 6.0289 -1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9837 5.1497 -1.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5463 -1.1129 -0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2224 2.4650 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4203 1.7381 0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5244 -1.2506 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6560 0.8960 0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7190 -0.8070 1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6646 0.6495 -0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7667 -1.0495 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5496 -0.1144 -2.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6508 -1.7904 -2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0337 -0.7012 -1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 2 38 1 0 0 0 0 3 7 1 0 0 0 0 3 10 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 45 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 48 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 15 2 0 0 0 0 8 16 1 0 0 0 0 9 18 2 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 11 20 2 0 0 0 0 11 21 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 39 1 0 0 0 0 13 24 2 0 0 0 0 13 25 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 15 20 1 0 0 0 0 15 40 1 0 0 0 0 16 21 2 0 0 0 0 16 41 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 19 44 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 31 1 0 0 0 0 24 51 1 0 0 0 0 25 32 2 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 33 34 2 0 0 0 0 33 67 1 0 0 0 0 34 35 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 37 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 M END > DB14069 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RSJCLODJSVZNQA-BQYQJAHWSA-N/SDF?record_type=3d > [H]\C(COCC)=C(\[H])C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=C(NC(C)C)C=C1)C1=CC=C(NC(C)C)C=C1 > InChI=1S/C32H38N4O/c1-6-37-21-7-8-24-9-11-27(12-10-24)32-35-30(25-13-17-28(18-14-25)33-22(2)3)31(36-32)26-15-19-29(20-16-26)34-23(4)5/h7-20,22-23,33-34H,6,21H2,1-5H3,(H,35,36)/b8-7+ > RSJCLODJSVZNQA-BQYQJAHWSA-N > C32H38N4O > 494.683 > 494.30456186 > 4 > 75 > 61.42792872576139 > 0 > 3 > 0 > 0 > 4-(2-{4-[(1E)-3-ethoxyprop-1-en-1-yl]phenyl}-4-{4-[(propan-2-yl)amino]phenyl}-1H-imidazol-5-yl)-N-(propan-2-yl)aniline > 7.21 > 6.814670793333335 > -6.07 > 1 > 4 > 0 > 12.389529600072532 > 5.255006942428164 > 61.97 > 169.24900000000002 > 11 > 0 > 4.23e-04 g/l > 4-(2-{4-[(1E)-3-ethoxyprop-1-en-1-yl]phenyl}-5-[4-(isopropylamino)phenyl]-3H-imidazol-4-yl)-N-isopropylaniline > 0 $$$$