General Information of the Compound
| Compound ID |
CP0400682
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| Compound Name |
methyl (2S)-6-amino-2-[(3,4-diaminobenzoyl)amino]hexanoate
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| Structure |
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| Formula |
C14H22N4O3
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| Molecular Weight |
294.355
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| Canonical SMILES |
COC(=O)[C@H](CCCCN)NC(=O)c1ccc(N)c(N)c1
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| InChI |
InChI=1S/C14H22N4O3/c1-21-14(20)12(4-2-3-7-15)18-13(19)9-5-6-10(16)11(17)8-9/h5-6,8,12H,2-4,7,15-17H2,1H3,(H,18,19)/t12-/m0/s1
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| InChIKey |
NWMMOGWPQJFLIW-LBPRGKRZSA-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: PT04212, Endoplasmic reticulum aminopeptidase 1
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase