17754396 -OEChem-10051720533D 43 46 0 0 0 0 0 0 0999 V2000 3.5575 2.4314 0.1508 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2481 0.2801 -0.3424 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -1.4961 0.2576 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -2.6786 -0.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3454 -3.7260 0.2359 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8912 2.8759 -0.0336 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 -0.6036 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4842 0.3205 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 -0.3193 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6882 -1.9680 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 -0.1959 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -1.4045 -0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8924 0.6535 0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0092 -2.3504 0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4156 1.7057 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6841 0.9581 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2954 -2.9385 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7752 2.0178 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5332 2.5436 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.1764 -0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 1.1697 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9075 0.0991 -0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2525 0.0917 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6135 3.4778 0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0404 0.2324 0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4926 2.1720 -0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0287 1.7690 0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0962 -4.0045 -0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4095 3.5996 -0.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -2.0198 -0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6602 0.5623 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9323 0.2716 -0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2677 -0.9861 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8663 -4.3727 -0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -3.9224 0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7787 3.8594 -0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8198 2.5147 0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1807 4.4126 0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 3.3595 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9206 3.5853 -0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 0.3941 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9532 -0.7478 1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 1.0202 1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 24 1 0 0 0 0 2 22 1 0 0 0 0 2 25 1 0 0 0 0 3 11 2 0 0 0 0 3 14 1 0 0 0 0 4 12 1 0 0 0 0 4 17 2 0 0 0 0 5 14 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 18 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 12 20 2 0 0 0 0 13 18 2 0 0 0 0 13 23 1 0 0 0 0 15 19 2 0 0 0 0 15 26 1 0 0 0 0 16 21 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 19 29 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END > DB06932 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NVINUNQBDNEMSY-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC2=NC=C3C(N)=NC4=C(C)C(N)=CC=C4C3=C2C=C1OC > InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23) > NVINUNQBDNEMSY-UHFFFAOYSA-N > C19H18N4O2 > 334.3718 > 334.14297584 > 6 > 43 > 0.08269847163856746 > 36.388517538584615 > 1 > 2 > 0 > 1 > 15,16-dimethoxy-6-methyl-8,12-diazatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-5,9-diamine > 2.76 > 2.4127163633333337 > -4.49 > 0 > 0 > 4 > 0 > 5.956235098779239 > 96.28 > 98.0327 > 2 > 1 > 1.09e-02 g/l > tetrahydrofolic acid > 0 $$$$