General Information of the Compound
| Compound ID |
CP0565538
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| Compound Name |
N-(1-tert-butyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-2-chloroacetamide
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| Structure |
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| Formula |
C17H18ClN5O
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| Molecular Weight |
343.818
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| Canonical SMILES |
CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)CCl)ncnc12
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| InChI |
InChI=1S/C17H18ClN5O/c1-17(2,3)23-16-13(14(22-23)11-7-5-4-6-8-11)15(19-10-20-16)21-12(24)9-18/h4-8,10H,9H2,1-3H3,(H,19,20,21,24)
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| InChIKey |
NKCQTELDEIJZRQ-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