10029385 -OEChem-10051722373D 63 69 0 0 0 0 0 0 0999 V2000 -0.2253 -0.4335 -4.2922 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -1.1588 1.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3297 -3.7392 -0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9618 -0.1618 1.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7549 -1.8459 0.9185 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7172 -1.5938 0.2413 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0396 0.3980 0.0489 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9684 -2.1792 0.5206 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0651 1.8794 0.1532 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 2.8760 2.0644 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.5108 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8939 -2.0848 1.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1441 -2.6187 1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -1.6314 -1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7978 -1.3698 -1.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 0.9131 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0011 1.3730 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5897 -1.3006 -0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5678 2.1436 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 2.6357 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5388 3.2102 0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 -1.5284 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 -0.8052 0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5302 -1.8611 1.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4089 -1.0139 -2.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8023 -1.4469 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9243 -0.9333 -2.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 -0.7925 -3.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5858 -0.4076 0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6948 -2.6164 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1677 0.9183 1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9949 -0.8582 0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7935 1.5638 2.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6358 3.0518 0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3229 1.7761 -1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4578 4.1945 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1532 2.8569 -1.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 4.1013 -1.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5701 -2.8105 2.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0961 -1.1335 2.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8695 -2.8933 1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 -3.5234 0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5084 -2.6299 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.9275 -1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6221 1.1637 -1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1160 0.1342 0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 0.9441 -0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1199 1.6125 -1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5798 2.5499 0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4342 1.8610 1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8653 2.3929 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4057 3.3881 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6145 4.0565 1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7528 3.5940 -0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7258 -2.1003 2.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1697 -0.9056 -3.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 -0.7723 -2.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7925 -2.7647 0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7427 1.1449 3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 0.8298 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 5.1279 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 2.8296 -3.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5761 4.9596 -2.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 23 2 0 0 0 0 3 30 2 0 0 0 0 4 32 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 23 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 23 1 0 0 0 0 8 30 1 0 0 0 0 8 32 1 0 0 0 0 8 58 1 0 0 0 0 9 31 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 33 1 0 0 0 0 10 34 2 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 25 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 22 1 0 0 0 0 18 27 2 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 24 55 1 0 0 0 0 25 28 2 0 0 0 0 25 56 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 33 2 0 0 0 0 33 59 1 0 0 0 0 34 36 1 0 0 0 0 35 37 2 0 0 0 0 35 60 1 0 0 0 0 36 38 2 0 0 0 0 36 61 1 0 0 0 0 37 38 1 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 M END > DB11913 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HRJWTAWVFDCTGO-UHFFFAOYSA-N/SDF?record_type=3d > FC1=CC2=C3N(CCN(C2)C(=O)N2CCCCC2)C=C(C3=C1)C1=C(C(=O)NC1=O)C1=CN=C2C=CC=CN12 > InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37) > HRJWTAWVFDCTGO-UHFFFAOYSA-N > C28H25FN6O3 > 512.545 > 512.197216852 > 4 > 63 > 53.13636750816 > 1 > 1 > 0 > 0 > 3-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4,6,8(13)-tetraen-3-yl]-4-{imidazo[1,2-a]pyridin-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione > 2.81 > 1.8326562833333342 > -4.20 > 0 > 7 > 0 > 9.816486132742819 > 5.563043151525573 > 91.95 > 139.66809999999995 > 2 > 0 > 3.23e-02 g/l > 3-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4,6,8(13)-tetraen-3-yl]-4-{imidazo[1,2-a]pyridin-3-yl}-1H-pyrrole-2,5-dione > 0 $$$$