General Information of the Compound
| Compound ID |
CP0565114
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| Compound Name |
[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-b]pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
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| Structure |
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| Formula |
C17H24ClN4O7P
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| Molecular Weight |
462.827
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| Canonical SMILES |
O[C@@H]1[C@@H](COCP(O)(O)=O)O[C@H]([C@@H]1O)n1ncc2c(NC3CCCC3)cc(Cl)nc12
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| InChI |
InChI=1S/C17H24ClN4O7P/c18-13-5-11(20-9-3-1-2-4-9)10-6-19-22(16(10)21-13)17-15(24)14(23)12(29-17)7-28-8-30(25,26)27/h5-6,9,12,14-15,17,23-24H,1-4,7-8H2,(H,20,21)(H2,25,26,27)/t12-,14-,15-,17-/m1/s1
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| InChIKey |
AMLQKDSAQJCAKZ-DNNBLBMLSA-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