General Information of the Compound
| Compound ID |
CP0462123
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| Compound Name |
2-[4-[(4-tert-butylbenzoyl)amino]phenyl]propanoic acid
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| Structure |
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| Formula |
C20H23NO3
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| Molecular Weight |
325.408
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| Canonical SMILES |
CC(C(O)=O)c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C20H23NO3/c1-13(19(23)24)14-7-11-17(12-8-14)21-18(22)15-5-9-16(10-6-15)20(2,3)4/h5-13H,1-4H3,(H,21,22)(H,23,24)
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| InChIKey |
WGFKCSVMRXNZBG-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