General Information of the Compound
| Compound ID |
CP0540047
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| Compound Name |
3-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-5-methylindol-1-yl]propanoic acid
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| Structure |
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| Formula |
C27H28N4O4
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| Molecular Weight |
472.545
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CCC(O)=O)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C27H28N4O4/c1-4-5-25(32)22-15-28-31(18(22)3)20-9-7-19(8-10-20)29-27(35)23-16-30(13-12-26(33)34)24-11-6-17(2)14-21(23)24/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,29,35)(H,33,34)
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| InChIKey |
SBQIGUYVKNQWRB-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