General Information of the Compound
| Compound ID |
CP0578519
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| Compound Name |
methyl (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-phenylpentanoyl]amino]-4-methylpentanoate
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| Structure |
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| Formula |
C18H28N2O4
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| Molecular Weight |
336.432
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| Canonical SMILES |
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CCc1ccccc1
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| InChI |
InChI=1S/C18H28N2O4/c1-12(2)11-15(18(23)24-3)20-17(22)16(21)14(19)10-9-13-7-5-4-6-8-13/h4-8,12,14-16,21H,9-11,19H2,1-3H3,(H,20,22)/t14-,15+,16+/m1/s1
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| InChIKey |
UGQHQMRKUBNIKT-PMPSAXMXSA-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: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05005, Interleukin-1 receptor antagonist protein