General Information of the Compound
| Compound ID |
CP0449987
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| Compound Name |
methyl 4-amino-3-[[(2S)-2-amino-4-(4-phenylmethoxyphenyl)butanoyl]amino]benzoate
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| Structure |
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| Formula |
C25H27N3O4
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| Molecular Weight |
433.508
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| Canonical SMILES |
COC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C25H27N3O4/c1-31-25(30)19-10-14-21(26)23(15-19)28-24(29)22(27)13-9-17-7-11-20(12-8-17)32-16-18-5-3-2-4-6-18/h2-8,10-12,14-15,22H,9,13,16,26-27H2,1H3,(H,28,29)/t22-/m0/s1
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| InChIKey |
SEBDBXOSTXTLFX-QFIPXVFZSA-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