General Information of the Compound
| Compound ID |
CP0487622
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| Compound Name |
2-[4-[benzyl-(4-tert-butylbenzoyl)amino]phenyl]acetic acid
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| Structure |
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| Formula |
C26H27NO3
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| Molecular Weight |
401.506
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N(Cc1ccccc1)c1ccc(CC(O)=O)cc1
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| InChI |
InChI=1S/C26H27NO3/c1-26(2,3)22-13-11-21(12-14-22)25(30)27(18-20-7-5-4-6-8-20)23-15-9-19(10-16-23)17-24(28)29/h4-16H,17-18H2,1-3H3,(H,28,29)
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| InChIKey |
FAJPURPSCYIIOW-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