General Information of the Compound
| Compound ID |
CP0578400
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| Compound Name |
[(2S,3S,4R,5R)-5-[6-chloro-4-[(2-chlorophenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfanylmethylphosphonic acid
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| Structure |
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| Formula |
C18H20Cl2N5O6PS
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| Molecular Weight |
536.334
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| Canonical SMILES |
O[C@@H]1[C@@H](CSCP(O)(O)=O)O[C@H]([C@@H]1O)n1ncc2c(NCc3ccccc3Cl)nc(Cl)nc12
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| InChI |
InChI=1S/C18H20Cl2N5O6PS/c19-11-4-2-1-3-9(11)5-21-15-10-6-22-25(16(10)24-18(20)23-15)17-14(27)13(26)12(31-17)7-33-8-32(28,29)30/h1-4,6,12-14,17,26-27H,5,7-8H2,(H,21,23,24)(H2,28,29,30)/t12-,13-,14-,17-/m1/s1
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| InChIKey |
JAIAGXYPLMOWIL-VMUDFCTBSA-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