22479942 -OEChem-10051720543D 42 46 0 0 0 0 0 0 0999 V2000 -4.4066 -1.6814 -1.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8512 0.8102 1.2881 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1338 3.0146 -1.3496 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 3.3524 -0.9351 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0047 0.3292 -0.0494 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6496 -3.0344 0.4786 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8146 -2.8668 0.7239 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0014 -4.2449 0.9378 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4139 1.1998 -0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 2.2461 -0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 1.7353 -1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 2.2145 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4785 -0.1228 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6456 -0.8600 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6747 1.0179 -1.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7238 -0.2975 -0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7899 1.2873 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1754 3.1114 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0612 1.2570 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7328 -2.2213 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4466 3.0813 1.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3896 2.1539 1.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3279 0.1421 0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0578 -0.9603 -0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 -4.0919 1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3381 -1.4329 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4827 -2.5138 -0.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2805 -2.6249 -1.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6364 -0.5415 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 1.4564 -1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6766 3.7080 -1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6277 -0.8753 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5411 0.5883 -0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5473 3.8390 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7007 3.7797 2.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3473 2.1990 1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6862 -0.2937 -0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -2.8535 0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -4.8985 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0782 -1.0497 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3541 -3.1344 -1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9068 -3.2869 -2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 28 1 0 0 0 0 2 23 2 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 31 1 0 0 0 0 4 10 2 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 5 37 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 38 1 0 0 0 0 7 20 2 0 0 0 0 7 25 1 0 0 0 0 8 25 2 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 21 2 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 24 26 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END > DB07020 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LMDMJDCLPIVGQD-UHFFFAOYSA-N/SDF?record_type=3d > O=C(NC1=CC(=CC=C1)C1=NNC2=CC=C(C=C12)C1=NNC=N1)C1=CC=CO1 > InChI=1S/C20H14N6O2/c27-20(17-5-2-8-28-17)23-14-4-1-3-12(9-14)18-15-10-13(19-21-11-22-26-19)6-7-16(15)24-25-18/h1-11H,(H,23,27)(H,24,25)(H,21,22,26) > LMDMJDCLPIVGQD-UHFFFAOYSA-N > C20H14N6O2 > 370.3642 > 370.117823722 > 4 > 42 > -0.0003028551126794409 > 38.31714822258383 > 1 > 3 > 0 > 1 > N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide > 3.52 > 3.5248886933333328 > -3.59 > 0 > 0 > 5 > 0 > 12.999060864823262 > 10.506769012642184 > 1.8954267935498283 > 112.49 > 117.0343 > 4 > 1 > 9.41e-02 g/l > tetrahydrofolic acid > 0 $$$$