General Information of the Compound
| Compound ID |
CP0471486
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| Compound Name |
[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C16H24ClN5O9P2
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| Molecular Weight |
527.795
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1ncc2c(NC3CCCC3)nc(Cl)nc12
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| InChI |
InChI=1S/C16H24ClN5O9P2/c17-16-20-13(19-8-3-1-2-4-8)9-5-18-22(14(9)21-16)15-12(24)11(23)10(31-15)6-30-33(28,29)7-32(25,26)27/h5,8,10-12,15,23-24H,1-4,6-7H2,(H,28,29)(H,19,20,21)(H2,25,26,27)/t10-,11-,12-,15-/m1/s1
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| InChIKey |
NFTWTQKEWHLKFB-RTWAVKEYSA-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