General Information of the Compound
| Compound ID |
CP0386657
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| Compound Name |
methyl 3-amino-4-[[(2S)-2-amino-4-methylpentanoyl]amino]benzoate
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| Structure |
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| Formula |
C14H21N3O3
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| Molecular Weight |
279.34
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)[C@@H](N)CC(C)C)c(N)c1
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| InChI |
InChI=1S/C14H21N3O3/c1-8(2)6-11(16)13(18)17-12-5-4-9(7-10(12)15)14(19)20-3/h4-5,7-8,11H,6,15-16H2,1-3H3,(H,17,18)/t11-/m0/s1
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| InChIKey |
HZNMRKXWWMZFAD-NSHDSACASA-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