General Information of the Compound
| Compound ID |
CP0504313
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| Compound Name |
2-(((S)-2-(3-(4-hydroxybenzyl)-5-((S)-2-aminohexanamido)benzamido)-4-methylpentanamido)methyl)benzoic acid
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| Structure |
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| Formula |
C34H42N4O6
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| Molecular Weight |
602.732
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| Canonical SMILES |
CCCC[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1C(O)=O
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| InChI |
InChI=1S/C34H42N4O6/c1-4-5-10-29(35)32(41)37-26-18-23(16-22-11-13-27(39)14-12-22)17-25(19-26)31(40)38-30(15-21(2)3)33(42)36-20-24-8-6-7-9-28(24)34(43)44/h6-9,11-14,17-19,21,29-30,39H,4-5,10,15-16,20,35H2,1-3H3,(H,36,42)(H,37,41)(H,38,40)(H,43,44)/t29-,30-/m0/s1
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| InChIKey |
BBNDCQRGQPKCMU-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