General Information of the Compound
| Compound ID |
CP0494403
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| Compound Name |
3-[(5-tert-butyl-2-methyl-1-propylpyrrole-3-carbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
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| Structure |
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| Formula |
C23H32N2O4
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| Molecular Weight |
400.519
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| Canonical SMILES |
CCCn1c(C)c(cc1C(C)(C)C)C(=O)NC(CC(O)=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C23H32N2O4/c1-7-12-25-15(2)18(13-20(25)23(3,4)5)22(28)24-19(14-21(26)27)16-8-10-17(29-6)11-9-16/h8-11,13,19H,7,12,14H2,1-6H3,(H,24,28)(H,26,27)
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| InChIKey |
PQBPOBCLHYABRI-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