General Information of the Compound
| Compound ID |
CP0439377
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| Compound Name |
(1S,2R)-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylamino]phenyl]cyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C22H19F3N2O2S
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| Molecular Weight |
432.467
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| Canonical SMILES |
Cc1nc(sc1CNc1ccc(cc1)[C@@H]1C[C@@H]1C(O)=O)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H19F3N2O2S/c1-12-19(30-20(27-12)14-2-6-15(7-3-14)22(23,24)25)11-26-16-8-4-13(5-9-16)17-10-18(17)21(28)29/h2-9,17-18,26H,10-11H2,1H3,(H,28,29)/t17-,18-/m0/s1
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| InChIKey |
LTSCYVQPSBMCFH-ROUUACIJSA-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