General Information of the Compound
| Compound ID |
CP0400684
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| Compound Name |
4-amino-3-[[(2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoic acid
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| Structure |
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| Formula |
C23H23N3O4
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| Molecular Weight |
405.454
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| Canonical SMILES |
N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(ccc1N)C(O)=O
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| InChI |
InChI=1S/C23H23N3O4/c24-19-11-8-17(23(28)29)13-21(19)26-22(27)20(25)12-15-6-9-18(10-7-15)30-14-16-4-2-1-3-5-16/h1-11,13,20H,12,14,24-25H2,(H,26,27)(H,28,29)/t20-/m0/s1
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| InChIKey |
HUWIKBMCDIUCPZ-FQEVSTJZSA-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