General Information of the Compound
| Compound ID |
CP0446921
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| Compound Name |
1-[(5-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-(2-methylpropyl)pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C22H21ClN4O2
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| Molecular Weight |
408.889
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| Canonical SMILES |
CC(C)Cc1cc(nn1Cc1cc(Cl)cc2cc(nn12)-c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C22H21ClN4O2/c1-14(2)8-17-11-21(22(28)29)24-26(17)13-19-10-16(23)9-18-12-20(25-27(18)19)15-6-4-3-5-7-15/h3-7,9-12,14H,8,13H2,1-2H3,(H,28,29)
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| InChIKey |
YTHXJOGTZIQQJR-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