General Information of the Compound
| Compound ID |
CP0562912
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| Compound Name |
[2-[[(2R,3S,4R,5R)-5-[6-chloro-4-[(2-chlorophenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]phosphonic acid
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| Structure |
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| Formula |
C20H23Cl2N6O7P
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| Molecular Weight |
561.319
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| Canonical SMILES |
CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c(NCc3ccccc3Cl)nc(Cl)nc12)C(=O)CP(O)(O)=O
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| InChI |
InChI=1S/C20H23Cl2N6O7P/c1-27(14(29)9-36(32,33)34)8-13-15(30)16(31)19(35-13)28-18-11(7-24-28)17(25-20(22)26-18)23-6-10-4-2-3-5-12(10)21/h2-5,7,13,15-16,19,30-31H,6,8-9H2,1H3,(H,23,25,26)(H2,32,33,34)/t13-,15-,16-,19-/m1/s1
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| InChIKey |
MXPFGWACKJBBJL-NVQRDWNXSA-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