444498 -OEChem-12081911463D 35 37 0 1 0 0 0 0 0999 V2000 -2.2341 1.9024 -1.6742 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4008 0.3369 -1.6549 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3077 -0.4645 2.6708 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4876 -1.8169 -0.2882 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -0.0889 0.9755 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5287 -2.0235 -0.5749 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 1.2956 0.3879 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 0.3892 0.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7503 2.6153 0.9003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1275 0.4957 -0.0734 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9923 0.5351 -1.3455 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3706 0.1217 0.5546 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2889 -0.1627 -0.9389 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1290 -0.3218 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -0.8091 1.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 0.1005 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -1.6495 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3013 -0.9514 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7351 -0.8717 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 1.3676 0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 1.5137 0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5456 0.0546 -2.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 1.1622 0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2081 -1.2426 -1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8162 -1.0931 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0373 -1.8634 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3405 -0.6951 0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5611 -2.3673 -0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3779 2.2995 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 0.2059 -2.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -2.9450 -0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3632 2.1117 0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -0.5682 2.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 3.3730 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7361 2.8132 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 29 1 0 0 0 0 2 13 1 0 0 0 0 2 30 1 0 0 0 0 3 15 1 0 0 0 0 3 33 1 0 0 0 0 4 19 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 31 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 32 1 0 0 0 0 8 19 1 0 0 0 0 8 20 2 0 0 0 0 9 20 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 M END > DB02230 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KBIDJCVAURJXFG-PVEDRDFWSA-N/SDF?record_type=3d > NC1=NC2=C(NC=C2[C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 > InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1 > KBIDJCVAURJXFG-PVEDRDFWSA-N > C11H15N5O4 > 281.2679 > 281.112403993 > 7 > 35 > 27.27178074695592 > 1 > 7 > 0 > 0 > 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one > -1.96 > -2.947466999 > -1.90 > 0 > 3 > 1 > 13.112843235424487 > 11.061951166364752 > 7.9305799422752665 > 155.99 > 69.6617 > 2 > 0 > 3.54e+00 g/l > immucillin G > 0 $$$$