General Information of the Compound
| Compound ID |
CP0539612
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| Compound Name |
4-chloro-1-cyclopentyl-N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C24H24ClN5O2
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| Molecular Weight |
449.942
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(ncc3c2Cl)C2CCCC2)cc1
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| InChI |
InChI=1S/C24H24ClN5O2/c1-14-21(15(2)32-29-14)17-9-7-16(8-10-17)11-27-24(31)20-12-26-23-19(22(20)25)13-28-30(23)18-5-3-4-6-18/h7-10,12-13,18H,3-6,11H2,1-2H3,(H,27,31)
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| InChIKey |
BXUUKKYLHCNIGH-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