6292 -OEChem-10051720433D 33 35 0 0 0 0 0 0 0999 V2000 -0.1260 -2.0643 0.2085 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3735 0.2377 0.1926 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4155 1.7999 0.0527 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 -0.0150 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1498 1.5323 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9239 -0.5900 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4785 -0.8872 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4778 -0.1394 -1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3289 0.7415 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4533 -0.1337 1.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8656 -1.6258 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 2.7299 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8506 -0.3861 -1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6948 1.0285 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7816 -0.0151 -2.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8261 -0.3803 1.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5248 -0.5066 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -1.3263 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -0.0001 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -0.0370 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5627 -2.6669 0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5049 2.7325 -0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2921 2.6829 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1981 3.6625 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4107 -0.4871 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0336 2.0596 -0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 0.9739 -2.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4745 -0.1409 -3.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0091 -0.7841 -2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -0.4740 2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5937 -0.6987 0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9567 -2.1271 -0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6954 0.2341 -0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 8 1 0 0 0 0 4 10 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 14 2 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 11 18 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 M END > DB04833 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JEYCTXHKTXCGPB-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=CC=C1N1C(C)=NC2=CC=CC=C2C1=O > InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3 > JEYCTXHKTXCGPB-UHFFFAOYSA-N > C16H14N2O > 250.2952 > 250.11061308 > 2 > 33 > 1.5088845594344035e-06 > 27.315539103750112 > 1 > 0 > 0 > 1 > 2-methyl-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one > 2.54 > 3.1684964050000004 > -3.79 > 0 > 0 > 3 > 0 > 1.1786577299554848 > 32.67 > 77.10540000000002 > 0 > 1 > 4.07e-02 g/l > tetrahydrofolic acid > 1 $$$$