General Information of the Compound
| Compound ID |
CP0418658
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| Compound Name |
methyl 4-amino-3-[[(2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate
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| Structure |
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| Formula |
C24H25N3O4
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| Molecular Weight |
419.481
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| Canonical SMILES |
COC(=O)c1ccc(N)c(NC(=O)[C@@H](N)Cc2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C24H25N3O4/c1-30-24(29)18-9-12-20(25)22(14-18)27-23(28)21(26)13-16-7-10-19(11-8-16)31-15-17-5-3-2-4-6-17/h2-12,14,21H,13,15,25-26H2,1H3,(H,27,28)/t21-/m0/s1
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| InChIKey |
QMHABNJUWSSQII-NRFANRHFSA-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