General Information of the Compound
| Compound ID |
CP0375254
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| Compound Name |
methyl 2-[3-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-5-methylindol-1-yl]acetate
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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(CC(=O)OC)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C27H28N4O4/c1-5-6-25(32)22-14-28-31(18(22)3)20-10-8-19(9-11-20)29-27(34)23-15-30(16-26(33)35-4)24-12-7-17(2)13-21(23)24/h7-15H,5-6,16H2,1-4H3,(H,29,34)
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| InChIKey |
YKLPWYMECXBZAX-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