General Information of the Compound
| Compound ID |
CP0578398
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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-methoxyphosphoryl]methyl-methoxyphosphinic acid
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| Formula |
C20H25Cl2N5O9P2
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| Molecular Weight |
612.3
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| Canonical SMILES |
COP(O)(=O)CP(=O)(OC)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c(NCc3ccccc3Cl)nc(Cl)nc12
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| InChI |
InChI=1S/C20H25Cl2N5O9P2/c1-33-37(30,31)10-38(32,34-2)35-9-14-15(28)16(29)19(36-14)27-18-12(8-24-27)17(25-20(22)26-18)23-7-11-5-3-4-6-13(11)21/h3-6,8,14-16,19,28-29H,7,9-10H2,1-2H3,(H,30,31)(H,23,25,26)/t14-,15-,16-,19-,38?/m1/s1
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| InChIKey |
PCMXLEJJHLKYMF-QGVRBVELSA-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