60150535 -OEChem-07122112293D 50 52 0 1 0 0 0 0 0999 V2000 0.2062 -2.3728 0.9663 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9227 -0.2102 2.0149 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6735 3.5651 0.7352 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8919 1.2464 -0.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1186 -2.8587 -0.2243 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 3.1076 2.5704 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5444 -0.0502 -2.5898 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 0.4841 0.6577 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4844 -0.5402 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.9229 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6272 -0.1223 -0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 0.3636 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1248 2.2346 -0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2896 -1.9103 0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4963 -1.0813 -1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 0.0220 0.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9003 0.5980 -1.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2362 2.9459 1.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6445 3.6355 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -2.4187 -0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7259 -0.7169 -1.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2003 -0.0852 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1236 0.4906 -2.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 0.1490 -1.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0764 -3.7844 1.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 -0.5539 2.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1611 -4.0992 1.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5267 0.0391 -2.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4151 0.2717 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7112 1.5404 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 0.8651 -1.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 3.7352 0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0021 4.4021 0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 3.8590 -1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 -3.2090 -1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4682 -0.1283 -2.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4103 -0.1410 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -1.6032 -2.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1269 -0.3475 0.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 0.6761 -3.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 2.5692 2.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 3.7827 3.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0241 -4.2399 0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -4.2046 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9163 -0.7048 3.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5492 -1.5013 2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8747 0.2621 2.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -5.1789 2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0536 -3.6876 1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0978 -3.6407 2.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 25 1 0 0 0 0 2 16 1 0 0 0 0 2 26 1 0 0 0 0 3 18 2 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 30 1 0 0 0 0 5 14 2 0 0 0 0 5 20 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 28 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 17 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M END > DB16165 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BTBHLEZXCOBLCY-QGZVFWFLSA-N/SDF?record_type=3d > CCOC1=NC=C(C)C2=C1[C@H](C1=CC=C(C=C1OC)C#N)C(C(N)=O)=C(C)N2 > InChI=1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1 > BTBHLEZXCOBLCY-QGZVFWFLSA-N > C21H22N4O3 > 378.432 > 378.169190584 > 6 > 50 > 1.3090694334408 > 39.66279793479905 > 1 > 2 > 0 > 1 > (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide > 2.21 > 1.8515019663333336 > -4.03 > 0 > 0 > 3 > 0 > 16.471196920283155 > 14.870492772661683 > 6.062285905686339 > 110.26000000000002 > 109.13400000000001 > 5 > 1 > 3.54e-02 g/l > finerenone > 0 $$$$