General Information of the Compound
| Compound ID |
CP0959294
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| Compound Name |
(S)-5-amino-2-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C20H18ClF3N2O5
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| Molecular Weight |
458.82
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| Canonical SMILES |
NC(=O)CC[C@H](NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O
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| InChI |
InChI=1S/C20H18ClF3N2O5/c21-14-9-13(20(22,23)24)4-6-16(14)31-10-11-2-1-3-12(8-11)18(28)26-15(19(29)30)5-7-17(25)27/h1-4,6,8-9,15H,5,7,10H2,(H2,25,27)(H,26,28)(H,29,30)/t15-/m0/s1
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| InChIKey |
XCKXCNDHICKZGW-HNNXBMFYSA-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