11149707 -OEChem-10051721013D 40 41 0 0 0 0 0 0 0999 V2000 4.1339 -0.8178 -0.2471 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4002 1.4474 -0.3928 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2683 0.5337 -0.2432 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3302 0.8517 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8644 -0.4591 1.2665 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3206 0.8441 1.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4311 -0.4924 1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6388 2.0238 0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -0.6374 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5821 1.8209 -0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6631 0.4673 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5545 0.2205 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4541 0.2969 -0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6894 -0.3326 -0.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5568 -0.9721 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0743 -1.0586 1.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0132 -1.0254 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6633 -0.2653 -1.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8961 -2.4456 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8096 0.9823 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2587 -1.3436 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 -0.5498 1.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2419 2.1340 1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 2.9586 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9714 -1.5587 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 -0.7168 -1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 1.8335 -1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3063 2.6412 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0324 1.0842 -0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1899 0.8404 -1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9335 -0.5509 -1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0135 -0.4457 0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2776 -1.5861 2.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9666 -1.5294 0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6935 -0.3663 -1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5977 0.6971 -2.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4635 -1.0669 -2.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9779 -2.6004 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5092 -2.8854 0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 -2.9890 -1.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 29 1 0 0 0 0 5 12 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 M END > DB07388 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LNRMJBWADUSJTA-UHFFFAOYSA-N/SDF?record_type=3d > CCOC(=O)N1CCC(CC1)NC1=NC=CC(C)=C1 > InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16) > LNRMJBWADUSJTA-UHFFFAOYSA-N > C14H21N3O2 > 263.3354 > 263.163376931 > 3 > 40 > 0.7114008505803838 > 29.202034524600784 > 1 > 1 > 0 > 1 > ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate > 2.27 > 1.5660299909999995 > -3.08 > 0 > 1 > 2 > 1 > 7.391819333339845 > 54.46000000000001 > 75.54409999999999 > 4 > 1 > 2.22e-01 g/l > tetrahydrofolic acid > 0 $$$$