General Information of the Compound
| Compound ID |
CP0399243
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| Compound Name |
2-(2-(((S)-1-(3-(4-hydroxybenzyl)-5-((S)-2-amino-3-methylbutanamido)benzoyl)pyrrolidine-2-carboxamido)methyl)phenyl)acetic acid
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| Structure |
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| Formula |
C33H38N4O6
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| Molecular Weight |
586.689
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1CC(O)=O
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| InChI |
InChI=1S/C33H38N4O6/c1-20(2)30(34)32(42)36-26-16-22(14-21-9-11-27(38)12-10-21)15-25(17-26)33(43)37-13-5-8-28(37)31(41)35-19-24-7-4-3-6-23(24)18-29(39)40/h3-4,6-7,9-12,15-17,20,28,30,38H,5,8,13-14,18-19,34H2,1-2H3,(H,35,41)(H,36,42)(H,39,40)/t28-,30-/m0/s1
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| InChIKey |
LNXGXUXEWRYUPG-JDXGNMNLSA-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: PT01820, Aminopeptidase N
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase