24180722 -OEChem-10051721043D 32 34 0 0 0 0 0 0 0999 V2000 3.3901 -1.9891 0.4516 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5935 1.7619 0.7003 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7601 -0.3284 0.9714 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9573 1.1498 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2378 1.1990 -1.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7604 0.0104 -0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4393 0.8944 -0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7712 0.4257 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4942 2.2124 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7539 -1.3401 -0.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8674 -0.4233 -0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1173 1.9318 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9733 -0.7035 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -2.1660 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2232 1.6514 0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6512 0.3338 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7047 -1.6189 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6518 -3.0011 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 0.4787 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3501 2.1853 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 3.2487 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1832 2.3279 1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0044 -1.7389 -1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3145 -1.1912 -1.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7948 2.9628 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7941 -3.2159 -0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7511 2.4591 1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5131 0.1217 1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4936 -2.2485 0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 -3.0526 0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7143 -2.8806 -1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1196 -3.9610 0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 8 1 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 15 2 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 M END > DB07525 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GHQCCHWTDLTMJT-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=CC(CC2=CNC3=C2C=CC=N3)=C1 > InChI=1S/C15H14N2O/c1-18-13-5-2-4-11(9-13)8-12-10-17-15-14(12)6-3-7-16-15/h2-7,9-10H,8H2,1H3,(H,16,17) > GHQCCHWTDLTMJT-UHFFFAOYSA-N > C15H14N2O > 238.2845 > 238.11061308 > 2 > 32 > 0.0002426091415825528 > 25.820499778241505 > 1 > 1 > 0 > 1 > 3-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine > 3.52 > 3.155920198333333 > -4.01 > 0 > 0 > 3 > 0 > 16.083002997034644 > 3.3850140167858696 > 37.91 > 71.1406 > 3 > 1 > 2.33e-02 g/l > tetrahydrofolic acid > 1 $$$$