25113145 -OEChem-10051721043D 30 32 0 0 0 0 0 0 0999 V2000 0.7974 2.1343 0.2113 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 -2.4986 -0.2374 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1576 -0.1540 -0.0112 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6446 0.2195 0.0124 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3685 0.4142 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2927 -0.9608 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0079 0.9424 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8822 -1.3370 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 1.0769 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2736 -0.0753 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4231 -1.7518 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7381 0.2980 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6607 -1.1044 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 2.5567 0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0283 -1.1263 0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 1.0522 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4209 -1.0494 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3042 1.1289 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 0.0781 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4859 0.1562 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 -2.8308 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 0.7637 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5761 -1.6887 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1896 3.0425 -0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 2.9024 1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 2.8924 0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 -2.0059 0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 1.8757 -0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9957 -1.8738 0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7877 2.0115 -0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 8 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 20 3 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 M END > DB07511 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MVYDBJXCIFMINH-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C2C(=O)N(C(=O)C2=CC=C1)C1=CC=C(C=C1)C#N > InChI=1S/C16H10N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-8H,1H3 > MVYDBJXCIFMINH-UHFFFAOYSA-N > C16H10N2O2 > 262.2628 > 262.074227574 > 3 > 30 > 1.450098424516955e-09 > 27.33726086567186 > 1 > 0 > 0 > 1 > 4-(4-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzonitrile > 1.88 > 2.9445751303333334 > -3.99 > 0 > 0 > 3 > 0 > -1.838698209404212 > 61.17 > 74.7519 > 1 > 1 > 2.69e-02 g/l > biotin > 0 $$$$