4463 -OEChem-10051719103D 34 37 0 0 0 0 0 0 0999 V2000 0.8987 -2.8388 -1.5122 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 1.0086 -0.0601 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 -1.7140 -0.6317 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 1.5809 0.6821 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4581 0.8732 0.8178 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 2.4797 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0329 3.1698 -1.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4961 2.9676 -1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 0.6195 0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4004 0.2312 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5749 -0.6623 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 -1.1263 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9368 -0.9290 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4919 -1.9168 -0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6679 -1.8164 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7829 0.0460 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2361 1.2833 0.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5707 0.1814 1.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5465 -2.2750 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 -1.1625 0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4112 3.0193 0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 4.1727 -1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 2.5847 -2.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0178 2.2605 -1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0829 3.8359 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -2.4727 -1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7777 -2.8793 0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8325 -0.1370 0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8362 2.0997 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3573 0.7625 1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -2.3358 0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5788 -2.4840 -1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9842 -3.0615 0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6293 -1.6876 1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 26 1 0 0 0 0 4 9 2 0 0 0 0 4 17 1 0 0 0 0 5 10 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 15 20 2 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 M END > DB00238 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NQDJXKOVJZTUJA-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1 > InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20) > NQDJXKOVJZTUJA-UHFFFAOYSA-N > C15H14N4O > 266.2979 > 266.11676109 > 4 > 34 > 0.00018817298300043568 > 27.79965666540865 > 1 > 1 > 0 > 1 > 2-cyclopropyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one > 1.75 > 2.488042778666667 > -3.41 > 0 > 0 > 4 > 0 > 14.975675183562654 > 3.2807647416298793 > 58.120000000000005 > 77.482 > 1 > 1 > 1.05e-01 g/l > biotin > 0 $$$$