General Information of the Compound
| Compound ID |
CP0457011
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| Compound Name |
4-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylamino]phenyl]butanoic acid
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| Structure |
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| Formula |
C22H21F3N2O2S
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| Molecular Weight |
434.483
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| Canonical SMILES |
Cc1nc(sc1CNc1ccc(CCCC(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H21F3N2O2S/c1-14-19(13-26-18-11-5-15(6-12-18)3-2-4-20(28)29)30-21(27-14)16-7-9-17(10-8-16)22(23,24)25/h5-12,26H,2-4,13H2,1H3,(H,28,29)
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| InChIKey |
VUHRBNCQSKUPHG-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