General Information of the Compound
| Compound ID |
CP0102858
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| Compound Name |
1-[2-(4-bromophenyl)-2-chloroethyl]-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C19H15BrClN5
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| Molecular Weight |
428.721
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| Canonical SMILES |
ClC(Cn1ncc2c(Nc3ccccc3)ncnc12)c1ccc(Br)cc1
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| InChI |
InChI=1S/C19H15BrClN5/c20-14-8-6-13(7-9-14)17(21)11-26-19-16(10-24-26)18(22-12-23-19)25-15-4-2-1-3-5-15/h1-10,12,17H,11H2,(H,22,23,25)
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| InChIKey |
FCRZBVJEMPDRTR-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