General Information of the Compound
| Compound ID |
CP0414323
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| Compound Name |
(2S)-6-amino-2-[[4-amino-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoyl]amino]hexanoic acid
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| Structure |
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| Formula |
C22H29N5O4
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| Molecular Weight |
427.505
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| Canonical SMILES |
NCCCC[C@H](NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)Cc2ccccc2)c1)C(O)=O
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| InChI |
InChI=1S/C22H29N5O4/c23-11-5-4-8-18(22(30)31)26-20(28)15-9-10-16(24)19(13-15)27-21(29)17(25)12-14-6-2-1-3-7-14/h1-3,6-7,9-10,13,17-18H,4-5,8,11-12,23-25H2,(H,26,28)(H,27,29)(H,30,31)/t17-,18-/m0/s1
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| InChIKey |
DSAHOGXCYNYPGA-ROUUACIJSA-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