16662431 -OEChem-10051722333D 57 60 0 0 0 0 0 0 0999 V2000 -7.8092 2.1978 -0.9910 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 0.2914 1.7564 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2452 -1.9031 0.9477 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3799 -0.6308 -0.2579 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5497 -0.3723 -1.4467 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9428 0.3323 0.3026 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6012 -1.7525 1.0318 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1305 -0.8323 -1.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 -1.3482 -2.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7692 -0.5922 -1.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 -0.0086 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7575 -0.7596 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4081 -0.0845 0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1192 0.5818 0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5748 0.4692 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1036 0.3469 -0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 1.3120 1.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4639 0.6839 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 1.5116 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5638 -0.8772 -0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4913 -0.0489 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 0.2358 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1096 2.7801 0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9678 -1.0676 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5482 -0.8296 0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3019 -1.3487 0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6638 1.2702 -0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9199 -0.9057 0.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0554 1.2131 -0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6773 0.1356 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 0.1421 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8696 -1.5308 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 -1.2377 -3.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6518 -2.4130 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1164 -1.6872 -0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7639 -0.8992 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5529 0.6283 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0733 1.3272 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -0.6933 -2.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 0.6361 2.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2856 1.7551 1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 2.1248 1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6913 1.6147 -1.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7328 1.4540 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8642 1.6090 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5865 -0.8729 -1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0339 -1.7776 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8295 3.6035 0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8399 2.6735 1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2263 3.0933 -0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6899 -0.3798 -0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9983 -0.9533 1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3184 -2.0802 0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -2.6000 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1963 2.1052 -1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3973 -1.7360 1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7603 0.1165 0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 13 2 0 0 0 0 3 26 2 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 5 39 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 21 2 0 0 0 0 18 43 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 25 2 0 0 0 0 22 27 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 28 1 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 30 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 30 57 1 0 0 0 0 M END > DB11741 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GKEYKDOLBLYGRB-LGMDPLHJSA-N/SDF?record_type=3d > CCN(CC)CCN1CCC2=C(C(C)=C(N2)\C=C2/C(=O)NC3=CC=C(F)C=C23)C1=O > InChI=1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13- > GKEYKDOLBLYGRB-LGMDPLHJSA-N > C23H27FN4O2 > 410.493 > 410.211804288 > 3 > 57 > 46.14106130332229 > 1 > 2 > 0 > 1 > (3Z)-3-({5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-2-yl}methylidene)-5-fluoro-2,3-dihydro-1H-indol-2-one > 3.44 > 2.6826797203333337 > -3.76 > 1 > 4 > 1 > 15.342775050575487 > 11.464374916413982 > 9.013331040730458 > 68.44 > 119.31079999999997 > 6 > 1 > 7.08e-02 g/l > (3Z)-3-({5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-1H,6H,7H-pyrrolo[3,2-c]pyridin-2-yl}methylidene)-5-fluoro-1H-indol-2-one > 0 $$$$