General Information of the Compound
| Compound ID |
CP0390894
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| Compound Name |
4-chloro-1,3-dimethyl-N-[2-(3-methylphenyl)pyrrolidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C20H22ClN5O
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| Molecular Weight |
383.883
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| Canonical SMILES |
Cc1nn(C)c2ncc(C(=O)NN3CCCC3c3cccc(C)c3)c(Cl)c12
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| InChI |
InChI=1S/C20H22ClN5O/c1-12-6-4-7-14(10-12)16-8-5-9-26(16)24-20(27)15-11-22-19-17(18(15)21)13(2)23-25(19)3/h4,6-7,10-11,16H,5,8-9H2,1-3H3,(H,24,27)
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| InChIKey |
HZOPZLHRAHMJSW-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