1881 -OEChem-10051721103D 39 41 0 0 0 0 0 0 0999 V2000 2.1294 -0.2705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1005 1.4422 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 -0.8729 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2212 -2.6006 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3704 0.8488 0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4053 0.4119 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8958 0.3395 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 0.1127 1.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2339 0.1133 -1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0684 -0.6694 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9825 -1.6308 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6354 -1.9097 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4391 -0.2836 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5613 1.6950 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 0.4658 2.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.4670 -2.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8079 1.0739 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 2.0311 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4802 -1.2138 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0156 0.4503 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2115 1.4898 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1669 0.6878 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 -0.9457 1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5195 -0.9452 -1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1675 0.6882 -1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 -2.2936 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2585 -2.9200 0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 2.4810 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1676 0.3182 3.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6222 -0.1643 2.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 1.5130 2.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1858 1.5143 -2.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6231 -0.1629 -2.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1688 0.3198 -3.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0654 3.0875 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0464 -3.1832 0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5617 -2.9337 -0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0955 0.1448 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5987 1.8333 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 17 1 0 0 0 0 2 20 2 0 0 0 0 3 19 2 0 0 0 0 3 20 1 0 0 0 0 4 19 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 20 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 21 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 16 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 M END > DB07862 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GCPJCLJGTVTGRF-UHFFFAOYSA-N/SDF?record_type=3d > CCC(CC)N1C=CC2=C1C=CC1=C2C(N)=NC(N)=N1 > InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19) > GCPJCLJGTVTGRF-UHFFFAOYSA-N > C15H19N5 > 269.3449 > 269.164045633 > 4 > 39 > 0.39470195270973363 > 30.228695373834917 > 1 > 2 > 0 > 1 > 7-(pentan-3-yl)-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine > 3.23 > 3.1813200103333323 > -3.21 > 0 > 1 > 3 > 0 > 16.773452612677154 > 5.981407854536754 > 82.75 > 82.65939999999999 > 3 > 1 > 1.67e-01 g/l > biotin > 0 $$$$