1836 -OEChem-10051720143D 37 39 0 0 0 0 0 0 0999 V2000 3.3321 1.4919 1.7731 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4321 -0.4515 -2.5155 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9699 1.4276 0.4492 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2249 -2.9168 0.9045 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7141 1.3192 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2894 -1.6648 -0.7761 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5597 0.6636 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 0.8670 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1342 1.9109 -1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 0.5397 0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7577 -0.5133 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.0999 0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4756 2.0191 -0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7722 -1.8400 0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0136 0.0887 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8917 2.2077 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6363 1.2425 0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 0.3550 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6338 -0.3939 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8084 0.0610 1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4815 -1.4741 -1.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6562 -1.0194 0.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4928 -1.7869 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 2.8287 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2183 1.7815 -1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 2.0786 -2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 -1.0051 0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9732 2.8150 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 -0.8139 2.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 -2.4669 -1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5636 -0.6692 1.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 3.1075 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8697 -0.1565 -1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9366 0.6575 2.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3580 -2.0686 -2.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4437 -1.2628 1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1537 -2.6271 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 14 2 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 29 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 16 2 0 0 0 0 13 28 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M END > DB03368 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RTBMLCLTYAPKIF-UHFFFAOYSA-N/SDF?record_type=3d > CC1(C(=O)NC(=O)NC1=O)C1=CC=C(OC2=CC=CC=C2)C=C1 > InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22) > RTBMLCLTYAPKIF-UHFFFAOYSA-N > C17H14N2O4 > 310.3041 > 310.095356946 > 3 > 37 > -0.42071864563396144 > 30.411791621163026 > 1 > 2 > 0 > 1 > 5-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione > 2.75 > 2.462048646 > -4.35 > 0 > 0 > 3 > -1 > 10.805567121737113 > 7.13945532780155 > -3.6901536157060635 > 84.50000000000001 > 81.38610000000003 > 3 > 1 > 1.39e-02 g/l > tetrahydrofolic acid > 0 $$$$