General Information of the Compound
| Compound ID |
CP0446166
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| Compound Name |
3-[[4-[[3-(3,5-dichlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C27H20Cl2F3N3O4
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| Molecular Weight |
578.374
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2cccc(OC(F)(F)F)c2)-c2cc(Cl)cc(Cl)c2)cc1
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| InChI |
InChI=1S/C27H20Cl2F3N3O4/c28-20-10-19(11-21(29)13-20)23-14-24(18-2-1-3-22(12-18)39-27(30,31)32)35(34-23)15-16-4-6-17(7-5-16)26(38)33-9-8-25(36)37/h1-7,10-14H,8-9,15H2,(H,33,38)(H,36,37)
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| InChIKey |
RNCACLGYECEMTR-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