General Information of the Compound
| Compound ID |
CP0408516
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| Compound Name |
methyl (2S)-2-[[4-amino-3-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]propanoate
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| Structure |
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| Formula |
C21H26N4O4
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| Molecular Weight |
398.463
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| Canonical SMILES |
COC(=O)[C@H](C)NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccccc2)c1
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| InChI |
InChI=1S/C21H26N4O4/c1-13(21(28)29-2)24-19(26)15-9-11-16(22)18(12-15)25-20(27)17(23)10-8-14-6-4-3-5-7-14/h3-7,9,11-13,17H,8,10,22-23H2,1-2H3,(H,24,26)(H,25,27)/t13-,17-/m0/s1
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| InChIKey |
UAXGKNJUPBKBSL-GUYCJALGSA-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