General Information of the Compound
| Compound ID |
CP0386660
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| Compound Name |
(2S)-2-[[3-amino-4-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]-3-methylbutanoic acid
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| Structure |
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| Formula |
C22H28N4O4
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| Molecular Weight |
412.49
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| Canonical SMILES |
CC(C)[C@H](NC(=O)c1ccc(NC(=O)[C@@H](N)CCc2ccccc2)c(N)c1)C(O)=O
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| InChI |
InChI=1S/C22H28N4O4/c1-13(2)19(22(29)30)26-20(27)15-9-11-18(17(24)12-15)25-21(28)16(23)10-8-14-6-4-3-5-7-14/h3-7,9,11-13,16,19H,8,10,23-24H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)/t16-,19-/m0/s1
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| InChIKey |
FOWOQAULVRDYBB-LPHOPBHVSA-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
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase