General Information of the Compound
| Compound ID |
CP0472499
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| Compound Name |
[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)-2-(methoxymethyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C18H28N5O8P
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| Molecular Weight |
473.423
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| Canonical SMILES |
COCc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](COCP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C18H28N5O8P/c1-29-7-12-21-16(20-10-4-2-3-5-10)13-17(22-12)23(8-19-13)18-15(25)14(24)11(31-18)6-30-9-32(26,27)28/h8,10-11,14-15,18,24-25H,2-7,9H2,1H3,(H,20,21,22)(H2,26,27,28)/t11-,14-,15-,18-/m1/s1
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| InChIKey |
XQMIOHNVVXLSKM-XKLVTHTNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound