General Information of the Compound
| Compound ID |
CP0548505
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| Compound Name |
3-[[4-[[5-(4-chlorophenyl)-3-(3,5-dichlorophenyl)-4-methylpyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C27H22Cl3N3O3
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| Molecular Weight |
542.85
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| Canonical SMILES |
Cc1c(nn(Cc2ccc(cc2)C(=O)NCCC(O)=O)c1-c1ccc(Cl)cc1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C27H22Cl3N3O3/c1-16-25(20-12-22(29)14-23(30)13-20)32-33(26(16)18-6-8-21(28)9-7-18)15-17-2-4-19(5-3-17)27(36)31-11-10-24(34)35/h2-9,12-14H,10-11,15H2,1H3,(H,31,36)(H,34,35)
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| InChIKey |
YHWGVIBDFKGANC-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