General Information of the Compound
| Compound ID |
CP0138918
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| Compound Name |
4-(2-anilinopyrimidin-4-yl)-2-cyclopentylbenzoic acid
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| Formula |
C22H21N3O2
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| Molecular Weight |
359.429
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| Canonical SMILES |
OC(=O)c1ccc(cc1C1CCCC1)-c1ccnc(Nc2ccccc2)n1
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| InChI |
InChI=1S/C22H21N3O2/c26-21(27)18-11-10-16(14-19(18)15-6-4-5-7-15)20-12-13-23-22(25-20)24-17-8-2-1-3-9-17/h1-3,8-15H,4-7H2,(H,26,27)(H,23,24,25)
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| InChIKey |
GZYIVQMHOULGOR-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