11493841 -OEChem-10051721193D 49 51 0 1 0 0 0 0 0999 V2000 3.4127 3.5336 0.5776 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3598 1.0708 0.1568 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3879 0.6607 2.1673 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 0.6801 0.3436 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 2.8137 -0.4007 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2799 0.3075 0.5246 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4565 2.8091 -1.5977 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7001 -0.2686 0.6022 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1468 -0.3404 1.1273 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4788 -1.2564 -0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 -0.1946 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5225 -1.1156 -1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9440 -1.2037 -1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0851 1.5273 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1976 1.1659 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3862 3.2341 -0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4809 2.4468 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -1.0859 0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8289 2.9721 -0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 -1.8231 -0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2853 -1.7458 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 -3.2074 -0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 -3.1301 1.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 -3.8610 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 -3.9891 -1.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -0.5475 1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2861 -1.3274 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5335 -2.2773 -0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4801 -1.1521 -0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1677 0.8195 -0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1964 -0.3464 0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3687 -1.9018 -2.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3873 -0.1576 -2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6611 -1.0328 -1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1264 -2.2173 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1039 1.6990 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3564 0.6041 2.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2717 1.5959 1.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 4.2574 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 0.7738 1.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0929 -1.3243 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8309 -1.1893 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1019 -3.6390 1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8798 -4.9388 0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0127 -5.0277 -1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1646 -3.5640 -1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7137 -3.9866 -2.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0008 2.3464 -2.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 3.1510 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 2 36 1 0 0 0 0 3 9 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 14 1 0 0 0 0 4 15 2 0 0 0 0 5 14 2 0 0 0 0 5 16 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 40 1 0 0 0 0 7 19 1 0 0 0 0 7 48 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 M END > DB08361 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NZNTWOVDIXCHHS-LSDHHAIUSA-N/SDF?record_type=3d > [H][C@]1(N)CCCC[C@@]1([H])NC1=NC(NC2=CC=CC(C)=C2)=C(C=N1)C(N)=O > InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1 > NZNTWOVDIXCHHS-LSDHHAIUSA-N > C18H24N6O > 340.4228 > 340.20115942 > 6 > 49 > 1.0010247114772464 > 37.43128358838387 > 1 > 4 > 0 > 1 > 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide > 2.23 > 3.517229722333334 > -3.92 > 0 > 1 > 3 > 1 > 15.209317919747622 > 13.318299742423438 > 9.912919499883186 > 118.95 > 99.8146 > 5 > 1 > 4.10e-02 g/l > biotin > 0 $$$$