General Information of the Compound
| Compound ID |
CP0970171
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| Compound Name |
(S)-4-amino-2-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)-4-oxobutanoic acid
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| Structure |
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| Formula |
C19H16ClF3N2O5
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| Molecular Weight |
444.793
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| Canonical SMILES |
NC(=O)C[C@H](NC(=O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1)C(=O)O
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| InChI |
InChI=1S/C19H16ClF3N2O5/c20-13-7-12(19(21,22)23)4-5-15(13)30-9-10-2-1-3-11(6-10)17(27)25-14(18(28)29)8-16(24)26/h1-7,14H,8-9H2,(H2,24,26)(H,25,27)(H,28,29)/t14-/m0/s1
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| InChIKey |
UVGLRJPGAVYLDJ-AWEZNQCLSA-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