5288607 -OEChem-10051719403D 50 53 0 0 0 0 0 0 0999 V2000 -7.6624 1.9439 0.5258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1261 -3.5939 -0.9651 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6711 1.9404 -0.2895 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 -2.3510 0.4447 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4597 1.3598 0.8107 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2112 0.7393 1.2028 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 -0.0012 0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 0.4884 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0291 1.7144 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6883 -1.2840 1.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 0.9025 0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6729 -0.3460 -1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4303 -0.3025 -0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9006 -0.0294 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5597 0.0146 0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0763 2.4936 -0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3399 0.5761 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0136 3.1018 -0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -1.0512 -0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7171 1.2005 0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6171 0.7833 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1367 -0.9166 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3768 2.0035 -0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2656 -2.7096 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7031 -3.0475 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -0.0143 0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9481 -1.6866 -0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.9283 0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 -1.1787 2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5252 -1.5546 2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9419 0.9070 0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7958 -1.3333 -1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5711 0.3899 -2.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1278 -0.8663 0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7668 0.1206 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7682 -0.9311 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 3.4444 -1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 3.0129 -0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 3.9900 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 3.1512 -1.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3361 -1.7305 -1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3159 2.0865 1.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6372 0.4236 0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2131 2.5844 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2819 -3.3423 0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2955 -2.3864 -0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4647 -3.9476 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2747 0.1727 1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8949 -2.0641 -1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -1.6050 1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 24 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 5 42 1 0 0 0 0 6 17 1 0 0 0 0 6 26 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 16 2 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 21 1 0 0 0 0 15 36 1 0 0 0 0 16 23 1 0 0 0 0 16 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 22 2 0 0 0 0 19 41 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 44 1 0 0 0 0 24 28 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 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END > DB01691 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VAZMNDXVXVUKFY-JXMROGBWSA-N/SDF?record_type=3d > CN(CC1=CN(C)C2=CC=CC=C12)C(=O)\C=C\C1=CN=C2NC(=O)CCC2=C1 > InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+ > VAZMNDXVXVUKFY-JXMROGBWSA-N > C22H22N4O2 > 374.4357 > 374.174275968 > 3 > 50 > 0.0036519415622334917 > 41.689423164428604 > 1 > 1 > 0 > 1 > (2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide > 2.57 > 2.7435650926666666 > -4.28 > 0 > 0 > 4 > 0 > 12.033964653067144 > 3.5652475507911685 > 67.23 > 111.55580000000002 > 4 > 1 > 1.96e-02 g/l > biotin > 0 $$$$