6914633 -OEChem-10051720593D 45 47 0 0 0 0 0 0 0999 V2000 7.0802 2.3263 -0.0337 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -2.3818 0.4501 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0362 0.1615 0.3548 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6947 -0.9855 0.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6809 1.4076 -0.1396 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6401 2.6009 -0.1897 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6991 0.2119 -0.0876 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6044 0.2101 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1595 0.1985 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3471 -0.9494 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6273 0.1739 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6811 -2.2744 0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 0.0508 -1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5166 0.3339 1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8658 0.0137 -0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 0.0384 -0.9407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1232 0.3217 1.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3339 1.3702 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 -0.0011 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 -2.9523 -0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2887 0.2113 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9497 -1.2085 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0342 1.1932 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3893 1.1797 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3048 -1.2222 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0246 -0.0282 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 -2.2069 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3603 -2.9287 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 -0.0482 -1.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0868 0.4498 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6876 0.8307 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 -0.9187 -1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 0.2688 1.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 -0.0761 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3656 0.4280 2.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2693 -3.0977 -1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9164 -3.9365 -0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6585 -2.3741 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 -2.1441 -0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5488 2.1395 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7645 2.7166 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 3.4269 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0795 -0.0388 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1907 1.0860 -0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2006 -0.6617 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 3 33 1 0 0 0 0 4 10 1 0 0 0 0 4 21 2 0 0 0 0 5 18 2 0 0 0 0 5 21 1 0 0 0 0 6 18 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 21 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 18 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 20 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 16 1 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 30 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 26 43 1 0 0 0 0 M END > DB07244 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SRRWXMSVQYQCRX-UHFFFAOYSA-N/SDF?record_type=3d > CCC1=C(C(N)=NC(N)=N1)C1=CC=C(NCC2=CC(F)=CC(F)=C2)C=C1 > InChI=1S/C19H19F2N5/c1-2-16-17(18(22)26-19(23)25-16)12-3-5-15(6-4-12)24-10-11-7-13(20)9-14(21)8-11/h3-9,24H,2,10H2,1H3,(H4,22,23,25,26) > SRRWXMSVQYQCRX-UHFFFAOYSA-N > C19H19F2N5 > 355.3845 > 355.160852043 > 5 > 45 > 0.9842820102579292 > 36.589174406138376 > 1 > 3 > 0 > 1 > 5-(4-{[(3,5-difluorophenyl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine > 3.88 > 3.626913595333333 > -4.68 > 0 > 1 > 3 > 1 > 17.358275253512062 > 7.792707011248216 > 89.85 > 101.9764 > 5 > 1 > 7.40e-03 g/l > biotin > 0 $$$$