General Information of the Compound
| Compound ID |
CP0426494
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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-cyanomethyl]phosphonic acid
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| Structure |
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| Formula |
C17H22ClN6O7P
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| Molecular Weight |
488.825
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COC(C#N)P(O)(O)=O)n1ncc2c(NC3CCCC3)nc(Cl)nc12
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| InChI |
InChI=1S/C17H22ClN6O7P/c18-17-22-14(21-8-3-1-2-4-8)9-6-20-24(15(9)23-17)16-13(26)12(25)10(31-16)7-30-11(5-19)32(27,28)29/h6,8,10-13,16,25-26H,1-4,7H2,(H,21,22,23)(H2,27,28,29)/t10-,11?,12-,13-,16-/m1/s1
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| InChIKey |
XEAAZMKJGPTWEZ-BVGIBNHUSA-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