General Information of the Compound
| Compound ID |
CP0313067
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| Compound Name |
2-cyclopentyl-4-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-4-yl)benzoic acid
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| Formula |
C26H24N2O2
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| Molecular Weight |
396.49
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| Canonical SMILES |
Cn1c(cc2c(ccnc12)-c1ccc(C(O)=O)c(c1)C1CCCC1)-c1ccccc1
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| InChI |
InChI=1S/C26H24N2O2/c1-28-24(18-9-3-2-4-10-18)16-23-20(13-14-27-25(23)28)19-11-12-21(26(29)30)22(15-19)17-7-5-6-8-17/h2-4,9-17H,5-8H2,1H3,(H,29,30)
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| InChIKey |
BCZOXFYHVGEAPI-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: PT01563, Calcium/calmodulin-dependent protein kinase kinase 2