General Information of the Compound
| Compound ID |
CP0555060
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| Compound Name |
4-[1-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-6-methylindol-3-yl]butanoic acid
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| Structure |
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| Formula |
C28H30N4O4
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| Molecular Weight |
486.572
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)n2cc(CCCC(O)=O)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C28H30N4O4/c1-4-6-26(33)24-16-29-32(19(24)3)22-12-10-21(11-13-22)30-28(36)31-17-20(7-5-8-27(34)35)23-14-9-18(2)15-25(23)31/h9-17H,4-8H2,1-3H3,(H,30,36)(H,34,35)
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| InChIKey |
CNEUIUYUJUBTAI-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