147569 -OEChem-12152013043D 32 34 0 1 0 0 0 0 0999 V2000 -0.2549 -3.5177 0.6561 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5595 0.5208 1.0345 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2049 -2.1107 -1.3276 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1182 -0.8961 0.1722 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8717 3.2728 0.5965 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 -0.8616 0.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 -1.7688 0.2216 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7973 1.4701 -0.0704 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2039 1.7625 -0.3503 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7405 -0.0698 -0.2535 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9686 -0.7854 -0.8982 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2260 -0.7429 0.4286 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2413 -0.0364 -0.5557 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7339 1.0556 0.3809 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3369 2.3292 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 0.1703 0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -2.0057 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3509 -0.4128 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4305 0.4360 -0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9204 2.1908 -0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 -0.2563 -1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5634 -1.5227 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7815 0.3272 -1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 1.2912 1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 2.1625 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 2.7630 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7398 -2.5559 -0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9009 -0.3728 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 2.8793 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7756 3.2579 -0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 -1.0592 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5084 0.5672 -0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 27 1 0 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 15 1 0 0 0 0 5 29 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 16 2 0 0 0 0 8 20 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 19 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 30 1 0 0 0 0 M END > DB16075 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MHDPPLULTMGBSI-UUOKFMHZSA-N/SDF?record_type=3d > NC1=NC=NC2=C1N=C(Cl)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O > InChI=1S/C10H12ClN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1 > MHDPPLULTMGBSI-UUOKFMHZSA-N > C10H12ClN5O4 > 301.69 > 301.0577816 > 8 > 32 > 0.0005047822440605151 > 27.095889552131624 > 1 > 4 > 0 > 0 > (2R,3R,4S,5R)-2-(6-amino-8-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol > -0.39 > -1.1769495433333335 > -1.50 > 0 > 0 > 3 > 0 > 13.890612353262716 > 12.452333559712145 > 2.7768464964424773 > 139.54000000000002 > 68.2215 > 2 > 1 > 9.61e+00 g/l > 2-methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxoprop-1-en-1-yl]phenyl (4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate > 0 $$$$