General Information of the Compound
| Compound ID |
CP0411593
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| Compound Name |
benzyl (2S)-2-[[4-amino-3-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
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| Structure |
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| Formula |
C35H35N5O4
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| Molecular Weight |
589.696
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| Canonical SMILES |
N[C@@H](CCc1ccccc1)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C35H35N5O4/c36-28-18-16-25(19-31(28)39-34(42)29(37)17-15-23-9-3-1-4-10-23)33(41)40-32(35(43)44-22-24-11-5-2-6-12-24)20-26-21-38-30-14-8-7-13-27(26)30/h1-14,16,18-19,21,29,32,38H,15,17,20,22,36-37H2,(H,39,42)(H,40,41)/t29-,32-/m0/s1
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| InChIKey |
CEQZWGIVPRHZJH-NYDCQLBNSA-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