General Information of the Compound
| Compound ID |
CP0184342
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| Compound Name |
3-[4-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C21H25NO3
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| Molecular Weight |
339.435
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C21H25NO3/c1-21(2,3)18-11-9-17(10-12-18)20(25)22-14-16-6-4-15(5-7-16)8-13-19(23)24/h4-7,9-12H,8,13-14H2,1-3H3,(H,22,25)(H,23,24)
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| InChIKey |
RSMYVINOIWLGTD-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