11992146 -OEChem-10051721083D 37 40 0 0 0 0 0 0 0999 V2000 3.5124 0.6180 -2.0942 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0828 2.8871 -0.3642 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5023 -1.3395 0.3831 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6583 1.2400 0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -2.0445 -0.2719 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6457 -0.5938 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9964 -1.0575 0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3371 0.6816 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0241 -0.1806 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 -0.5507 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9423 0.7116 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3563 1.7085 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1053 -1.0589 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 -0.2103 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1164 -2.3993 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2487 -0.7476 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4187 0.0724 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 -2.8386 -0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0165 0.7323 -0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 0.2047 1.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1489 1.5207 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0905 0.9932 1.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 1.6511 0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 -2.1126 0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1085 -0.9393 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1119 -0.4902 -1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0111 -0.2707 0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4436 -2.3080 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3659 1.5614 -0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4121 1.9182 -0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8366 0.8405 0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -3.1020 -0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6563 -3.8745 -0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 -0.3023 2.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6122 2.0331 -1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5088 1.0946 2.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5676 2.2650 0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 12 2 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 28 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 0 0 0 0 5 16 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 29 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M END > DB07728 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XJJYJNMNYDNXNO-UHFFFAOYSA-N/SDF?record_type=3d > FC1=C(C=CC=C1)C1=CC(=CC=N1)C1=CC2=C(CCNC2=O)N1 > InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23) > XJJYJNMNYDNXNO-UHFFFAOYSA-N > C18H14FN3O > 307.3217 > 307.11209029 > 2 > 37 > 0.0003583273972694422 > 32.32497867860073 > 1 > 2 > 0 > 1 > 2-[2-(2-fluorophenyl)pyridin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one > 2.94 > 2.383966135333333 > -3.98 > 0 > 0 > 4 > 0 > 15.773372956965149 > 12.697551942036208 > 3.55686375615149 > 57.78 > 85.9268 > 2 > 1 > 3.24e-02 g/l > tetrahydrofolic acid > 0 $$$$