General Information of the Compound
| Compound ID |
CP0130713
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| Compound Name |
1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C20H17Cl2N5S
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| Molecular Weight |
430.364
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| Canonical SMILES |
CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
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| InChI |
InChI=1S/C20H17Cl2N5S/c1-28-20-25-18(24-15-9-5-8-14(21)10-15)16-11-23-27(19(16)26-20)12-17(22)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26)
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| InChIKey |
ZSKSRKTYCCBGOO-UHFFFAOYSA-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