General Information of the Compound
| Compound ID |
CP0576065
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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-methylsulfonylmethyl]phosphonic acid
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| Structure |
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| Formula |
C17H25ClN5O9PS
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| Molecular Weight |
541.907
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| Canonical SMILES |
CS(=O)(=O)C(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/C17H25ClN5O9PS/c1-34(29,30)17(33(26,27)28)31-7-10-11(24)12(25)15(32-10)23-14-9(6-19-23)13(21-16(18)22-14)20-8-4-2-3-5-8/h6,8,10-12,15,17,24-25H,2-5,7H2,1H3,(H,20,21,22)(H2,26,27,28)/t10-,11-,12-,15-,17?/m1/s1
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| InChIKey |
YCPVCKBXSCCYPT-PPKIAISOSA-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