General Information of the Compound
| Compound ID |
CP0856387
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| Compound Name |
(S)-Benzyl 2-(3-Amino-4-((S)-2-amino-4-methylpentanamido)benzamido)-3-(1H-indol-3-yl)propanoate
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| Structure |
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| Formula |
C31H35N5O4
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| Molecular Weight |
541.652
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| Canonical SMILES |
CC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)cc1N
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| InChI |
InChI=1S/C31H35N5O4/c1-19(2)14-25(33)30(38)35-27-13-12-21(15-24(27)32)29(37)36-28(31(39)40-18-20-8-4-3-5-9-20)16-22-17-34-26-11-7-6-10-23(22)26/h3-13,15,17,19,25,28,34H,14,16,18,32-33H2,1-2H3,(H,35,38)(H,36,37)/t25-,28-/m0/s1
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| InChIKey |
RXOGKCBIUZQTIE-LSYYVWMOSA-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: PT05116, Leucyl-cystinyl aminopeptidase