General Information of the Compound
| Compound ID |
CP0500277
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| Compound Name |
[(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl diethyl phosphate
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| Structure |
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| Formula |
C19H29ClN5O7P
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| Molecular Weight |
505.896
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| Canonical SMILES |
CCOP(=O)(OCC)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
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| InChI |
InChI=1S/C19H29ClN5O7P/c1-3-29-33(28,30-4-2)31-9-12-14(26)15(27)18(32-12)25-10-21-13-16(22-11-7-5-6-8-11)23-19(20)24-17(13)25/h10-12,14-15,18,26-27H,3-9H2,1-2H3,(H,22,23,24)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
UDNKBMZDLBECOT-SCFUHWHPSA-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