General Information of the Compound
| Compound ID |
CP0426491
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| Compound Name |
[(2R,3S,4R,5R)-5-[6-chloro-4-[(2-chlorophenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(methoxy)phosphoryl]methyl]phosphinic acid
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| Formula |
C19H23Cl2N5O9P2
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| Molecular Weight |
598.273
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| Canonical SMILES |
COP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c(NCc3ccccc3Cl)nc(Cl)nc12
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| InChI |
InChI=1S/C19H23Cl2N5O9P2/c1-33-36(29,30)9-37(31,32)34-8-13-14(27)15(28)18(35-13)26-17-11(7-23-26)16(24-19(21)25-17)22-6-10-4-2-3-5-12(10)20/h2-5,7,13-15,18,27-28H,6,8-9H2,1H3,(H,29,30)(H,31,32)(H,22,24,25)/t13-,14-,15-,18-/m1/s1
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| InChIKey |
MQJUMSTWIRHVRJ-ATNYBXOESA-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