General Information of the Compound
| Compound ID |
CP0545859
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| Compound Name |
4-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]-3-(3-methoxyphenyl)butanoic acid
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| Structure |
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| Formula |
C28H25BrN2O4
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| Molecular Weight |
533.422
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| Canonical SMILES |
COc1cccc(c1)C(CNC(=O)c1c(C)c(nc2ccc(Br)cc12)-c1ccccc1)CC(O)=O
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| InChI |
InChI=1S/C28H25BrN2O4/c1-17-26(23-15-21(29)11-12-24(23)31-27(17)18-7-4-3-5-8-18)28(34)30-16-20(14-25(32)33)19-9-6-10-22(13-19)35-2/h3-13,15,20H,14,16H2,1-2H3,(H,30,34)(H,32,33)
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| InChIKey |
PRZURRGRIUGCGH-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