130196740 -OEChem-09152318003D 67 72 0 1 0 0 0 0 0999 V2000 -5.1542 -1.3625 -2.7807 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3664 2.4459 0.3485 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -3.0291 0.7761 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0515 -3.4989 -1.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4858 -0.4494 -0.4133 N 0 0 2 0 0 0 0 0 0 0 0 0 0.9782 1.8314 -0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9481 -1.8258 -0.1839 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7485 2.2103 0.1357 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1306 3.8649 0.4792 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 4.4605 0.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9899 -3.2474 2.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 -2.6559 2.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7691 -4.1359 1.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1419 -1.8156 0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3867 -4.0031 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9103 -2.1357 -0.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 -0.5056 0.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2394 -5.4403 0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 -1.0998 -1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3422 0.5129 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1162 0.2233 -1.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -0.8578 -1.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6623 1.0127 -0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -0.2947 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7012 -1.1291 -0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 1.7775 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 1.1733 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 1.8888 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7423 -1.1321 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4389 3.1348 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0652 3.1409 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2578 3.8321 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0733 2.7851 0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4843 3.4942 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7623 -0.9551 -1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7264 -2.2847 0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6705 4.0697 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5908 -3.2701 2.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2889 -2.2764 3.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 -2.1137 1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4589 -4.5689 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -4.7565 2.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -0.2924 1.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9961 -6.0211 -0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -5.8072 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3721 -5.6420 1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2388 -1.9506 -1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4425 -0.5159 -2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5019 1.0211 -1.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0132 1.3236 -1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4121 1.3217 0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8206 -0.8252 0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -0.4669 -1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4743 -2.1791 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0745 -0.6843 -1.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9853 -0.1233 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2998 -1.6607 1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3906 3.6534 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2905 4.8860 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 4.8427 0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2351 -0.6673 -1.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6652 -1.4833 -1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0763 -0.0427 -0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1438 -2.9885 1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0425 -1.4545 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6204 -2.8256 0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3969 4.8436 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 33 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 15 2 0 0 0 0 4 16 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 5 25 1 0 0 0 0 6 27 1 0 0 0 0 6 31 2 0 0 0 0 7 29 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 28 2 0 0 0 0 8 34 1 0 0 0 0 9 31 1 0 0 0 0 9 34 1 0 0 0 0 9 60 1 0 0 0 0 10 34 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 27 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 29 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 28 33 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 32 2 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 32 59 1 0 0 0 0 33 37 2 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 M END > DB18299 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UZUCFTPPULEGQO-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CCN1CCC2=C(C1)C=CC(NC1=NC=C(F)C(=N1)C1=CC(F)=C3N=C(C)N(C4CC4)C3=C1)=N2 > InChI=1S/C27H30F2N8/c1-16-31-26-20(28)12-18(13-23(26)37(16)19-5-6-19)25-21(29)14-30-27(34-25)33-24-7-4-17-15-36(11-10-35(2)3)9-8-22(17)32-24/h4,7,12-14,19H,5-6,8-11,15H2,1-3H3,(H,30,32,33,34) > UZUCFTPPULEGQO-UHFFFAOYSA-N > C27H30F2N8 > 504.59 > 504.256149324 > 7 > 67 > 4.008300655182922 > 54.311301935429114 > 1 > 1 > 0 > 0 > N-[4-(1-cyclopropyl-4-fluoro-2-methyl-1H-1,3-benzodiazol-6-yl)-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine > 3.716462386822865 > 1 > 1 > 6 > 1 > 9.535001323574287 > 8.750997680162568 > 75.0 > 139.26079999999996 > 7 > 0 > N-[4-(3-cyclopropyl-7-fluoro-2-methyl-1,3-benzodiazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine > 0 $$$$