General Information of the Compound
| Compound ID |
CP0856386
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| Compound Name |
(S)-Benzyl 2-(3-Amino-4-((S)-2-amino-3-(4-(benzyloxy)-phenyl)propanamido)benzamido)-3-(1H-indol-3-yl)-propanoate
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| Structure |
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| Formula |
C41H39N5O5
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| Molecular Weight |
681.793
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| Canonical SMILES |
Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)ccc1NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C41H39N5O5/c42-34-22-30(17-20-37(34)45-40(48)35(43)21-27-15-18-32(19-16-27)50-25-28-9-3-1-4-10-28)39(47)46-38(41(49)51-26-29-11-5-2-6-12-29)23-31-24-44-36-14-8-7-13-33(31)36/h1-20,22,24,35,38,44H,21,23,25-26,42-43H2,(H,45,48)(H,46,47)/t35-,38-/m0/s1
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| InChIKey |
SGWORNLMMGXAHF-LFGICVIVSA-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