General Information of the Compound
| Compound ID |
CP0525969
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| Compound Name |
[(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl bis(2-phenylethyl) phosphate
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| Structure |
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| Formula |
C31H37ClN5O7P
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| Molecular Weight |
658.092
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| Canonical SMILES |
O[C@@H]1[C@@H](COP(=O)(OCCc2ccccc2)OCCc2ccccc2)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
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| InChI |
InChI=1S/C31H37ClN5O7P/c32-31-35-28(34-23-13-7-8-14-23)25-29(36-31)37(20-33-25)30-27(39)26(38)24(44-30)19-43-45(40,41-17-15-21-9-3-1-4-10-21)42-18-16-22-11-5-2-6-12-22/h1-6,9-12,20,23-24,26-27,30,38-39H,7-8,13-19H2,(H,34,35,36)/t24-,26-,27-,30-/m1/s1
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| InChIKey |
OTHYPMJSIQGIKM-BQOYKFDPSA-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