10200651 -OEChem-10051721093D 48 51 0 0 0 0 0 0 0999 V2000 7.0547 -0.1879 0.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1444 -1.4814 -1.9848 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 -0.1475 -0.1695 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6615 -1.9380 0.6448 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9306 -2.3989 0.9415 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7370 1.1920 2.7984 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5052 0.9346 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1304 0.5221 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8822 2.2716 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -0.0274 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7967 0.3464 0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2139 2.6453 -0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 0.5050 0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6787 0.1410 -1.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1712 1.6826 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4894 -0.2651 -0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8848 3.3313 -0.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0681 0.1067 0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6465 -0.2572 -1.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7874 -0.6489 0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9015 -0.6899 -1.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1906 -0.3830 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7108 -1.3436 0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9511 0.2511 0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8025 -1.2533 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3235 0.0149 0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1749 -1.4896 -0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9353 -0.8555 0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1555 -1.2416 1.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1030 0.6641 1.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1691 -1.0698 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5235 3.6819 -0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 0.7908 1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3462 0.1502 -2.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1985 2.0122 0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 4.3203 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 3.1291 -1.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1087 3.3979 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7004 0.0691 1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9836 -0.5449 -2.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4802 0.5350 0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4729 0.9299 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2839 -1.7815 -1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6526 -2.1671 -1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0040 -1.0499 0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6658 -0.8440 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3586 -0.5785 2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5814 -2.2235 1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 21 2 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 20 2 0 0 0 0 5 23 2 0 0 0 0 6 30 3 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 15 2 0 0 0 0 12 32 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 14 19 2 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 29 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M END > DB07833 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PMMLSQFPBFKLHH-UHFFFAOYSA-N/SDF?record_type=3d > CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NC1=CC(=CC=C1)C#N > InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29) > PMMLSQFPBFKLHH-UHFFFAOYSA-N > C24H18N4O2 > 394.4253 > 394.14297584 > 4 > 48 > 7.666087588599954e-09 > 42.50986517384 > 1 > 1 > 0 > 1 > N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,1'-biphenyl]-4-carboxamide > 4.18 > 4.211148265666667 > -3.85 > 0 > 0 > 4 > 0 > 15.277850672855845 > -0.885638157461017 > 91.81 > 127.95840000000001 > 4 > 1 > 5.51e-02 g/l > biotin > 0 $$$$