General Information of the Compound
| Compound ID |
CP0511978
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| Compound Name |
2-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenol
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| Formula |
C21H18ClN3O
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| Molecular Weight |
363.848
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| Canonical SMILES |
Cc1nn(-c2ccc(C)cc2)c2nc(c(Cl)cc12)-c1cc(C)ccc1O
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| InChI |
InChI=1S/C21H18ClN3O/c1-12-4-7-15(8-5-12)25-21-16(14(3)24-25)11-18(22)20(23-21)17-10-13(2)6-9-19(17)26/h4-11,26H,1-3H3
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| InChIKey |
ROFWDCDMMWCZOG-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