General Information of the Compound
| Compound ID |
CP0576066
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| Compound Name |
[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-4-hydroxybutan-2-yl]phosphonic acid
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| Structure |
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| Formula |
C19H29ClN5O8P
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| Molecular Weight |
521.895
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| Canonical SMILES |
CC(CCO)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c(NC3CCCC3)nc(Cl)nc12)P(O)(O)=O
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| InChI |
InChI=1S/C19H29ClN5O8P/c1-19(6-7-26,34(29,30)31)32-9-12-13(27)14(28)17(33-12)25-16-11(8-21-25)15(23-18(20)24-16)22-10-4-2-3-5-10/h8,10,12-14,17,26-28H,2-7,9H2,1H3,(H,22,23,24)(H2,29,30,31)/t12-,13-,14-,17-,19?/m1/s1
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| InChIKey |
XFDYBFPHJWEVAA-RXUYWNQFSA-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