114881 -OEChem-01141916523D 35 37 0 1 0 0 0 0 0999 V2000 -5.0699 -1.0242 -0.4377 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1993 1.5901 -0.9985 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8219 1.7005 0.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -0.9619 -0.2186 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8029 -2.2445 -0.3736 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1148 -0.2274 -0.5231 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 1.8003 0.1283 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2535 1.7791 -0.6153 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7982 -0.8206 0.3166 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8157 -0.4231 -0.7686 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9052 1.1079 -0.6983 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9088 0.3360 1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5375 1.3829 0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4876 -1.1970 0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9007 -1.3384 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8537 -0.3074 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9944 -0.9070 -0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5118 -2.5242 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8265 1.1321 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0737 1.1468 -0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1126 -1.7465 0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -0.7745 -1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1767 1.5809 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4259 -1.7441 -0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5414 0.3274 2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -2.1101 1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5006 -0.3871 1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7096 2.3223 1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1461 -3.5415 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3656 -0.6705 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4821 -2.9209 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 2.5557 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 -0.6708 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0582 1.2642 -0.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3536 2.7824 -0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 30 1 0 0 0 0 2 11 1 0 0 0 0 2 32 1 0 0 0 0 3 19 2 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 24 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 31 1 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 6 33 1 0 0 0 0 7 19 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 18 29 1 0 0 0 0 M END > DB14732 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WYROLENTHWJFLR-ACLDMZEESA-N/SDF?record_type=3d > NC1=NC2=C(C(CN[C@H]3C=C[C@H](O)[C@@H]3O)=CN2)C(=O)N1 > InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1 > WYROLENTHWJFLR-ACLDMZEESA-N > C12H15N5O3 > 277.2792 > 277.117489371 > 7 > 35 > 27.420174200194403 > 1 > 7 > 0 > 0 > (1R,2S,5S)-5-[({4-hydroxy-2-imino-1H,2H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}methyl)amino]cyclopent-3-ene-1,2-diol > -1.56 > -2.5732749145783407 > -2.67 > 0 > 3 > 1 > 12.140253130775825 > 1.9488389862521558 > 21.257389780329934 > 136.75 > 83.9747 > 3 > 0 > 5.90e-01 g/l > queuine > 0 $$$$