24180721 -OEChem-10051721043D 27 29 0 0 0 0 0 0 0999 V2000 0.7018 -0.6824 -0.2855 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7445 1.8580 -0.4646 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 0.8537 0.0068 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -0.3341 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4063 0.0886 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5474 0.7923 -0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4414 1.4418 -0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3646 -1.5502 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0843 -0.3861 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7469 -1.5436 0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0607 -1.0852 -0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4574 0.6026 0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4327 -0.3451 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4103 -0.7956 -0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8069 0.8923 1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7835 0.1932 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 2.1512 -0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5766 -1.6873 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0652 2.8053 -0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 -2.4702 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2759 -2.4580 0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7816 -1.8570 -1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 1.1499 1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 -0.3216 0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 -1.3399 -1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0979 1.6596 1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 0.4182 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 6 1 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 7 17 1 0 0 0 0 8 10 2 0 0 0 0 8 20 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 M END > DB07524 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CQFGXDQUQWRXLE-UHFFFAOYSA-N/SDF?record_type=3d > N(C1=CNC2=NC=CC=C12)C1=CC=CC=C1 > InChI=1S/C13H11N3/c1-2-5-10(6-3-1)16-12-9-15-13-11(12)7-4-8-14-13/h1-9,16H,(H,14,15) > CQFGXDQUQWRXLE-UHFFFAOYSA-N > C13H11N3 > 209.2465 > 209.095297367 > 2 > 27 > 0.0001716227948726974 > 22.806817109152213 > 1 > 2 > 0 > 1 > N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine > 3.19 > 2.661723212333333 > -3.38 > 0 > 0 > 3 > 0 > 19.97386683354206 > 17.40541704521756 > 3.234650394956043 > 40.71 > 63.4264 > 2 > 1 > 8.77e-02 g/l > tetrahydrofolic acid > 0 $$$$