General Information of the Compound
| Compound ID |
CP0446943
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| Compound Name |
4-amino-3-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoic acid
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| Structure |
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| Formula |
C17H19N3O3
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| Molecular Weight |
313.357
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| Canonical SMILES |
N[C@@H](CCc1ccccc1)C(=O)Nc1cc(ccc1N)C(O)=O
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| InChI |
InChI=1S/C17H19N3O3/c18-13-9-7-12(17(22)23)10-15(13)20-16(21)14(19)8-6-11-4-2-1-3-5-11/h1-5,7,9-10,14H,6,8,18-19H2,(H,20,21)(H,22,23)/t14-/m0/s1
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| InChIKey |
WIMZOEBIGFNYPP-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
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase