General Information of the Compound
| Compound ID |
CP0525547
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| Compound Name |
3-[[2-(2,5-dimethylphenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid
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| Structure |
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| Formula |
C27H25N3O4
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| Molecular Weight |
455.514
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| Canonical SMILES |
Cc1ccc(C)c(c1)-n1[nH]c(cc1=O)C(=O)NC(CC(O)=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C27H25N3O4/c1-17-8-9-18(2)24(14-17)30-25(31)15-23(29-30)27(34)28-22(16-26(32)33)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-15,22,29H,16H2,1-2H3,(H,28,34)(H,32,33)
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| InChIKey |
MKEZUDZARMNNGH-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