General Information of the Compound
| Compound ID |
CP0416012
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| Compound Name |
(3S)-3-(1-methylimidazol-2-yl)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C25H22F3N3O3S
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| Molecular Weight |
501.53
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| Canonical SMILES |
Cc1nc(sc1COc1ccc(cc1)[C@H](CC(O)=O)c1nccn1C)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3N3O3S/c1-15-21(35-24(30-15)17-3-7-18(8-4-17)25(26,27)28)14-34-19-9-5-16(6-10-19)20(13-22(32)33)23-29-11-12-31(23)2/h3-12,20H,13-14H2,1-2H3,(H,32,33)/t20-/m0/s1
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| InChIKey |
YQUGGIHTWWLTGE-FQEVSTJZSA-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