General Information of the Compound
| Compound ID |
CP0882658
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| Compound Name |
(S)-2-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)-3-(1H-imidazol-4-yl)propanoic acid
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| Structure |
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| Formula |
C21H17ClF3N3O4
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| Molecular Weight |
467.831
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| Canonical SMILES |
O=C(N[C@@H](Cc1c[nH]cn1)C(=O)O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
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| InChI |
InChI=1S/C21H17ClF3N3O4/c22-16-7-14(21(23,24)25)4-5-18(16)32-10-12-2-1-3-13(6-12)19(29)28-17(20(30)31)8-15-9-26-11-27-15/h1-7,9,11,17H,8,10H2,(H,26,27)(H,28,29)(H,30,31)/t17-/m0/s1
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| InChIKey |
SJECXSZJQAMEEH-KRWDZBQOSA-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