General Information of the Compound
| Compound ID |
CP0387071
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| Compound Name |
4-[[2-[(4-tert-butylbenzoyl)amino]benzoyl]amino]butanoic acid
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| Structure |
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| Formula |
C22H26N2O4
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| Molecular Weight |
382.46
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCCC(O)=O
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| InChI |
InChI=1S/C22H26N2O4/c1-22(2,3)16-12-10-15(11-13-16)20(27)24-18-8-5-4-7-17(18)21(28)23-14-6-9-19(25)26/h4-5,7-8,10-13H,6,9,14H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)
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| InChIKey |
JDVAZPQQLBTSEA-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