General Information of the Compound
| Compound ID |
CP0400685
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| Compound Name |
methyl (2S)-2-[(3,4-diaminobenzoyl)amino]-5-(diaminomethylideneamino)pentanoate
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| Structure |
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| Formula |
C14H22N6O3
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| Molecular Weight |
322.369
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| Canonical SMILES |
COC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(N)c(N)c1
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| InChI |
InChI=1S/C14H22N6O3/c1-23-13(22)11(3-2-6-19-14(17)18)20-12(21)8-4-5-9(15)10(16)7-8/h4-5,7,11H,2-3,6,15-16H2,1H3,(H,20,21)(H4,17,18,19)/t11-/m0/s1
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| InChIKey |
KRRCYWYWJMDVKF-NSHDSACASA-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