General Information of the Compound
| Compound ID |
CP0484435
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| Compound Name |
3-[[4-[1-[3-(3,5-dichlorophenyl)-5-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C28H22Cl2F3N3O4
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| Molecular Weight |
592.401
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc(OC(F)(F)F)cc1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C28H22Cl2F3N3O4/c1-16(17-2-4-19(5-3-17)27(39)34-11-10-26(37)38)36-25(18-6-8-23(9-7-18)40-28(31,32)33)15-24(35-36)20-12-21(29)14-22(30)13-20/h2-9,12-16H,10-11H2,1H3,(H,34,39)(H,37,38)
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| InChIKey |
AYWGEISQTISXEW-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