General Information of the Compound
| Compound ID |
CP0294481
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| Compound Name |
4-chloro-N-[[2-(3-methoxyphenyl)phenyl]methyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C23H21ClN4O2
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| Molecular Weight |
420.9
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| Canonical SMILES |
COc1cccc(c1)-c1ccccc1CNC(=O)c1cnc2n(C)nc(C)c2c1Cl
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| InChI |
InChI=1S/C23H21ClN4O2/c1-14-20-21(24)19(13-25-22(20)28(2)27-14)23(29)26-12-16-7-4-5-10-18(16)15-8-6-9-17(11-15)30-3/h4-11,13H,12H2,1-3H3,(H,26,29)
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| InChIKey |
LNCIRKANLWFJFG-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
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor