General Information of the Compound
| Compound ID |
CP0407418
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| Compound Name |
3-[[4-[1-[5-(4-tert-butylphenyl)-3-(3,5-dichlorophenyl)pyrazol-1-yl]ethyl]benzoyl]amino]butanoic acid
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| Structure |
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| Formula |
C32H33Cl2N3O3
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| Molecular Weight |
578.54
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| Canonical SMILES |
CC(CC(O)=O)NC(=O)c1ccc(cc1)C(C)n1nc(cc1-c1ccc(cc1)C(C)(C)C)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C32H33Cl2N3O3/c1-19(14-30(38)39)35-31(40)23-8-6-21(7-9-23)20(2)37-29(22-10-12-25(13-11-22)32(3,4)5)18-28(36-37)24-15-26(33)17-27(34)16-24/h6-13,15-20H,14H2,1-5H3,(H,35,40)(H,38,39)
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| InChIKey |
PAYMGAZHYVJJLS-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