445109 -OEChem-10051720053D 32 34 0 1 0 0 0 0 0999 V2000 -0.0740 0.5579 -0.2938 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9027 -2.0353 0.1884 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1181 -1.1962 0.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5475 1.1551 -0.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7565 2.6626 -0.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3082 -0.3573 0.2425 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9603 -0.5883 -0.4705 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5005 -1.7500 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3965 -0.1970 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2842 0.3164 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7889 -0.9654 0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 1.3384 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4345 -0.8072 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6802 0.7737 0.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7573 -0.4465 -0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0029 1.1345 1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9225 -0.1196 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0414 0.5244 0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8811 -0.8952 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6408 -1.5056 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0926 -2.6500 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3703 1.4624 -0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2774 -2.9544 0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2259 -1.5664 -1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8952 1.2541 1.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 -0.9221 -1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2249 1.8873 1.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0713 0.8044 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8562 2.9195 -0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 3.3838 -0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 0.4190 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6389 -1.3006 0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 23 1 0 0 0 0 3 11 2 0 0 0 0 3 17 1 0 0 0 0 4 12 1 0 0 0 0 4 17 2 0 0 0 0 5 12 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 17 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 18 2 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 18 28 1 0 0 0 0 M END > DB02911 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VEKRIXRQADJFAG-QMMMGPOBSA-N/SDF?record_type=3d > [H][C@]1(CNC2=C(N1)C(N)=NC(N)=N2)C1=CC=CC=C1 > InChI=1S/C12H14N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H5,13,14,15,17,18)/t8-/m0/s1 > VEKRIXRQADJFAG-QMMMGPOBSA-N > C12H14N6 > 242.2798 > 242.127994478 > 6 > 32 > 0.9054701094534761 > 25.39494810152083 > 1 > 4 > 0 > 1 > (6R)-6-phenyl-5,6,7,8-tetrahydropteridine-2,4-diamine > 0.56 > 0.8178561286666666 > -2.89 > 0 > 1 > 3 > 1 > 19.67014426022517 > 19.30265381361556 > 6.981290079946446 > 101.88 > 75.39750000000001 > 1 > 1 > 3.11e-01 g/l > biotin > 0 $$$$