General Information of the Compound
| Compound ID |
CP0399024
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| Compound Name |
(3S)-3-(2-methyl-1,2,4-triazol-3-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 |
C24H21F3N4O3S
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| Molecular Weight |
502.518
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| Canonical SMILES |
Cc1nc(sc1COc1ccc(cc1)[C@H](CC(O)=O)c1ncnn1C)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H21F3N4O3S/c1-14-20(35-23(30-14)16-3-7-17(8-4-16)24(25,26)27)12-34-18-9-5-15(6-10-18)19(11-21(32)33)22-28-13-29-31(22)2/h3-10,13,19H,11-12H2,1-2H3,(H,32,33)/t19-/m0/s1
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| InChIKey |
KHYIJRUIJBGUBK-IBGZPJMESA-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