General Information of the Compound
| Compound ID |
CP0522762
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| Compound Name |
2-(2-(((S)-1-(3-(4-hydroxybenzyl)-5-((S)-2-aminohexanamido)benzoyl)pyrrolidine-2-carboxamido)methyl)phenyl)acetic acid
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| Structure |
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| Formula |
C34H40N4O6
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| Molecular Weight |
600.716
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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)NCc1ccccc1CC(O)=O
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| InChI |
InChI=1S/C34H40N4O6/c1-2-3-9-29(35)32(42)37-27-18-23(16-22-11-13-28(39)14-12-22)17-26(19-27)34(44)38-15-6-10-30(38)33(43)36-21-25-8-5-4-7-24(25)20-31(40)41/h4-5,7-8,11-14,17-19,29-30,39H,2-3,6,9-10,15-16,20-21,35H2,1H3,(H,36,43)(H,37,42)(H,40,41)/t29-,30-/m0/s1
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| InChIKey |
WHIURHWGVIUMOD-KYJUHHDHSA-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