General Information of the Compound
| Compound ID |
CP0453629
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| Compound Name |
ethyl 2-[[[(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[(2-ethoxy-2-oxoethyl)amino]phosphoryl]amino]acetate
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| Structure |
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| Formula |
C23H35ClN7O9P
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| Molecular Weight |
620
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| Canonical SMILES |
CCOC(=O)CNP(=O)(NCC(=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/C23H35ClN7O9P/c1-3-37-15(32)9-26-41(36,27-10-16(33)38-4-2)39-11-14-18(34)19(35)22(40-14)31-12-25-17-20(28-13-7-5-6-8-13)29-23(24)30-21(17)31/h12-14,18-19,22,34-35H,3-11H2,1-2H3,(H2,26,27,36)(H,28,29,30)/t14-,18-,19-,22-/m1/s1
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| InChIKey |
LFRLQLBNARWMHE-RCAWKPMRSA-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