General Information of the Compound
| Compound ID |
CP0533927
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| Compound Name |
[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)-2-(pyrrolidin-3-yloxymethyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Formula |
C21H33N6O8P
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| Molecular Weight |
528.503
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| Canonical SMILES |
O[C@@H]1[C@@H](COCP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)nc(COC3CCNC3)nc12
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| InChI |
InChI=1S/C21H33N6O8P/c28-17-14(8-33-11-36(30,31)32)35-21(18(17)29)27-10-23-16-19(24-12-3-1-2-4-12)25-15(26-20(16)27)9-34-13-5-6-22-7-13/h10,12-14,17-18,21-22,28-29H,1-9,11H2,(H,24,25,26)(H2,30,31,32)/t13?,14-,17-,18-,21-/m1/s1
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| InChIKey |
JGAQHRZVPPHJES-KSQRGFQASA-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