General Information of the Compound
| Compound ID |
CP0413510
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| Compound Name |
(2S)-2-[[4-amino-3-[[(2S)-2-aminohexanoyl]amino]benzoyl]amino]-3-methylbutanoic acid
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| Structure |
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| Formula |
C18H28N4O4
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| Molecular Weight |
364.446
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| Canonical SMILES |
CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](C(C)C)C(O)=O
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| InChI |
InChI=1S/C18H28N4O4/c1-4-5-6-13(20)17(24)21-14-9-11(7-8-12(14)19)16(23)22-15(10(2)3)18(25)26/h7-10,13,15H,4-6,19-20H2,1-3H3,(H,21,24)(H,22,23)(H,25,26)/t13-,15-/m0/s1
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| InChIKey |
PXCHMYHKPNRWSU-ZFWWWQNUSA-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