General Information of the Compound
| Compound ID |
CP0495927
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| Compound Name |
2-(((S)-1-(3-(4-hydroxybenzyl)-5-((S)-2-aminohexanamido)benzoyl)pyrrolidine-2-carboxamido)methyl)benzoic 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 |
CCCC[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1C(O)=O
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| InChI |
InChI=1S/C33H38N4O6/c1-2-3-9-28(34)30(39)36-25-18-22(16-21-11-13-26(38)14-12-21)17-24(19-25)32(41)37-15-6-10-29(37)31(40)35-20-23-7-4-5-8-27(23)33(42)43/h4-5,7-8,11-14,17-19,28-29,38H,2-3,6,9-10,15-16,20,34H2,1H3,(H,35,40)(H,36,39)(H,42,43)/t28-,29-/m0/s1
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| InChIKey |
DAPDWHJNYDDYTO-VMPREFPWSA-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