General Information of the Compound
| Compound ID |
CP0466406
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| Compound Name |
[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-1-methylsulfonylpropan-2-yl]phosphonic acid
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| Structure |
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| Formula |
C19H29ClN5O9PS
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| Molecular Weight |
569.961
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| Canonical SMILES |
CC(CS(C)(=O)=O)(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/C19H29ClN5O9PS/c1-19(35(28,29)30,9-36(2,31)32)33-8-12-13(26)14(27)17(34-12)25-16-11(7-21-25)15(23-18(20)24-16)22-10-5-3-4-6-10/h7,10,12-14,17,26-27H,3-6,8-9H2,1-2H3,(H,22,23,24)(H2,28,29,30)/t12-,13-,14-,17-,19?/m1/s1
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| InChIKey |
LKUPNKBXURRSFJ-RXUYWNQFSA-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