51039030 -OEChem-05201910403D 73 77 0 1 0 0 0 0 0999 V2000 -3.4135 2.2501 1.8771 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3722 -1.3958 -0.8065 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0893 0.5359 2.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8248 0.9360 -0.4302 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3751 -6.3228 -1.4934 N 0 0 2 0 0 0 0 0 0 0 0 0 3.1846 -0.9077 0.6048 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3116 2.7023 -1.5969 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 4.6763 0.6874 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3693 6.2033 -2.0993 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3785 -1.1035 -0.2048 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1547 -5.5930 -0.2340 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9522 -6.3039 0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7257 -7.5564 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0103 -7.7140 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8913 -4.1332 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 -6.2177 -1.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6236 -3.1705 0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3045 -1.7309 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1981 0.5087 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2465 2.6217 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2487 1.2165 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1468 1.2003 1.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2069 3.3305 0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 3.3590 -0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1444 2.5973 1.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3272 4.7459 -0.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 5.3506 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9844 2.2590 -1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 0.7823 1.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5054 2.4467 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7523 1.6304 -2.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 1.3777 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 2.0061 0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 1.1897 -1.9751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 5.5503 -1.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2694 -0.4532 2.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0695 -0.4592 -0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1639 -0.8777 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8861 -1.0110 1.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9216 -1.4014 2.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3604 -1.4813 0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1854 -1.6431 2.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0147 -5.7405 0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1907 -6.5831 1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 -5.6964 0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 -7.3982 -1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5036 -8.4318 0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8524 -8.2888 -2.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7675 -8.2219 -0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -3.8708 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -5.1761 -2.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8566 -6.7797 -2.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4779 -6.5992 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 -3.4205 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9133 -1.3436 1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4979 0.7218 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8859 3.1311 1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 2.5198 -2.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 6.4317 0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 1.6289 2.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5635 1.0224 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 2.9347 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3593 1.4793 -3.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6297 0.7101 -2.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3262 -0.2951 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9056 -1.3120 1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1761 -0.7157 3.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 -1.0544 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3744 -0.6462 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8962 -0.8217 2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7441 -1.5175 3.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3268 -1.6573 0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0073 -1.9484 2.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 18 2 0 0 0 0 3 22 1 0 0 0 0 3 29 1 0 0 0 0 4 32 1 0 0 0 0 4 37 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 55 1 0 0 0 0 7 24 1 0 0 0 0 7 28 1 0 0 0 0 7 58 1 0 0 0 0 8 23 1 0 0 0 0 8 27 2 0 0 0 0 9 35 3 0 0 0 0 10 38 1 0 0 0 0 10 41 2 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 17 2 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 56 1 0 0 0 0 22 25 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 35 1 0 0 0 0 27 59 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 36 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 33 1 0 0 0 0 30 62 1 0 0 0 0 31 34 2 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 38 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 39 70 1 0 0 0 0 40 42 2 0 0 0 0 40 71 1 0 0 0 0 41 42 1 0 0 0 0 41 72 1 0 0 0 0 42 73 1 0 0 0 0 M END > DB14993 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SADXACCFNXBCFY-IYNHSRRRSA-N/SDF?record_type=3d > CCOC1=C(NC(=O)\C=C\[C@H]2CCCN2C)C=C2C(=C1)N=CC(C#N)=C2NC1=CC=C(OCC2=NC=CC=C2)C(Cl)=C1 > InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1 > SADXACCFNXBCFY-IYNHSRRRSA-N > C32H31ClN6O3 > 583.09 > 582.2146166 > 8 > 73 > 60.79817193345701 > 1 > 2 > 0 > 0 > (2E)-N-[4-({3-chloro-4-[(pyridin-2-yl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide > 5.10 > 4.934883398666667 > -5.00 > 1 > 5 > 1 > 18.14729818027365 > 12.550396256149929 > 8.707956982496334 > 112.4 > 164.49729999999994 > 10 > 0 > 5.89e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$