50922691 -OEChem-10051722493D 60 65 0 0 0 0 0 0 0999 V2000 3.5112 1.8406 -1.6428 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3977 0.8886 0.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9046 0.9522 -0.4061 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3944 0.1224 -0.1599 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2643 -3.6249 -0.3351 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9665 -3.6007 -0.0971 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5067 -0.9763 0.0654 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 1.4017 0.1239 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2611 2.0209 0.2492 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6637 1.5900 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2331 -0.0072 1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5024 1.5235 -1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9681 0.8481 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4443 0.4703 2.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0642 0.1204 2.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 1.0699 -0.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1441 0.3480 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 -1.0280 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6004 -1.2125 -0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0609 -0.0136 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6631 2.3780 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 -2.3475 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 -2.3112 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1107 2.8810 -1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1078 -1.0484 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8915 -4.3630 -0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 -4.1914 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4032 0.1074 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7881 -0.0981 0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3191 1.1673 0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7117 1.6279 0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3057 3.4646 0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6355 2.5454 0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5761 -1.0130 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9566 -0.2348 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7960 1.2950 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 0.8866 -1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3724 0.9473 2.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 -0.7910 2.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0175 2.4246 -1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9257 -0.2067 3.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6614 1.5171 3.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7794 -1.7545 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5877 2.9012 -0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0523 2.5744 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8053 2.6745 -2.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0529 3.9622 -1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8448 2.4047 -1.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8902 -5.4447 -0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5137 -5.2827 -0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -3.8626 0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -3.8684 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9218 -1.9063 0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3298 -1.0316 0.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3990 0.7790 0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0196 2.2270 -0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8293 2.2339 1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9353 3.7972 -0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2947 3.8630 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7192 3.7912 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 20 2 0 0 0 0 4 25 1 0 0 0 0 5 22 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 23 1 0 0 0 0 6 26 2 0 0 0 0 7 25 1 0 0 0 0 7 28 1 0 0 0 0 7 53 1 0 0 0 0 8 9 1 0 0 0 0 8 28 2 0 0 0 0 9 30 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 40 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 21 24 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 25 2 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 M END > DB12591 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JCINBYQJBYJGDM-UHFFFAOYSA-N/SDF?record_type=3d > CCN1C(=CC2=C3N(C)C=NC3=C(NC3=NN(C)C(C)=C3)N=C12)C(=O)N(C1CC1)C1CC1 > InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27) > JCINBYQJBYJGDM-UHFFFAOYSA-N > C23H28N8O > 432.532 > 432.238607554 > 5 > 60 > 48.816634108099976 > 1 > 1 > 0 > 0 > N,N-dicyclopropyl-7-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaene-11-carboxamide > 3.20 > 2.7176005446666656 > -2.76 > 1 > 6 > 0 > 11.001009599354827 > 4.184900995215125 > 85.8 > 134.73069999999998 > 6 > 1 > 7.48e-01 g/l > N,N-dicyclopropyl-7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaene-11-carboxamide > 0 $$$$