General Information of the Compound
| Compound ID |
CP0576064
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| Compound Name |
[1-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2,2,2-trifluoroethyl]phosphonic acid
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| Structure |
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| Formula |
C17H22ClF3N5O7P
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| Molecular Weight |
531.812
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COC(C(F)(F)F)P(O)(O)=O)n1ncc2c(NC3CCCC3)nc(Cl)nc12
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| InChI |
InChI=1S/C17H22ClF3N5O7P/c18-16-24-12(23-7-3-1-2-4-7)8-5-22-26(13(8)25-16)14-11(28)10(27)9(33-14)6-32-15(17(19,20)21)34(29,30)31/h5,7,9-11,14-15,27-28H,1-4,6H2,(H,23,24,25)(H2,29,30,31)/t9-,10-,11-,14-,15?/m1/s1
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| InChIKey |
MNFBQUMWEOGLIP-HIDXMTOYSA-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