24958200 -OEChem-11022213133D 44 47 0 1 0 0 0 0 0999 V2000 -5.5533 2.7551 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5168 0.3985 -1.2394 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1668 -0.7020 0.0039 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 0.4211 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2628 2.8641 -0.0018 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5127 -0.3551 0.0145 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0392 0.3354 1.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 0.3435 -1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5602 0.4564 1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0197 1.1155 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9978 -0.4475 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3752 -1.6958 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 0.7157 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2133 -0.6176 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -1.7809 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8357 0.6307 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1887 -1.4572 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8842 -1.8626 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1836 -0.0138 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3929 0.7057 -0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2971 -2.2944 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5398 -0.1181 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 -1.5479 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4622 2.1512 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9146 -1.3793 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7432 -0.2290 2.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6106 1.3397 1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7306 -0.2098 -2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6511 1.3593 -1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 1.0401 2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 -0.5414 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6940 2.1625 -0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1147 1.1200 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8392 0.8687 -2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9616 -2.6108 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6918 1.6982 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5633 -2.7807 0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2758 1.5623 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4635 -2.8580 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -3.3751 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5279 0.3425 -0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4379 -2.0890 -0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3496 2.4231 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 3.8788 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 19 2 0 0 0 0 5 24 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 13 16 2 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > DB11793 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PCHKPVIQAHNQLW-CQSZACIVSA-N/SDF?record_type=3d > NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)[C@@H]1CCCNC1 > InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1 > PCHKPVIQAHNQLW-CQSZACIVSA-N > C19H20N4O > 320.396 > 320.16371128 > 3 > 44 > 1.4827667778000606 > 36.39791908298065 > 1 > 2 > 0 > 1 > 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide > 2.45 > 2.4680503419999997 > -4.33 > 0 > 1 > 4 > 1 > 14.027908995250424 > 10.084748201269733 > 72.94 > 94.9203 > 3 > 1 > 1.49e-02 g/l > niraparib > 0 $$$$