VRV Mrv0541 02241214162D 23 25 0 0 0 0 999 V2000 -0.6517 2.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3662 2.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3662 1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 2.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 -0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3662 -0.4744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3662 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 -1.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 -1.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 -2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 -2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 -1.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 -2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 -3.3619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0807 -1.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0807 0.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 2.4131 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 23 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 21 2 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 12 1 0 0 0 0 13 18 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 19 20 3 0 0 0 0 M END > DB08705 > drugbank > OC1=C(C=C(Br)C=C1)C1=CC(C2=CC=CC=C2)=C(C#N)C(=O)N1 > InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23) > SVSYJTYGPLVUOZ-UHFFFAOYSA-N > C18H11BrN2O2 > 367.196 > 366.000390253 > 3 > 34 > -0.6472657076043751 > 33.75119852331173 > 1 > 2 > 0 > 1 > 6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile > 4.01 > 3.1077109436666666 > -4.81 > 0 > -1 > 3 > -1 > 8.150450542854975 > 6.870195217367507 > -5.391120723611485 > 73.12 > 92.76270000000001 > 2 > 1 > 5.67e-03 g/l > tetrahydrofolic acid > 0 > DB08705 > experimental > 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE $$$$