General Information of the Compound
| Compound ID |
CP0475114
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| Compound Name |
2-(2-(((2S,3R)-2-(3-(4-hydroxybenzyl)-5-((S)-2-aminohexanamido)benzamido)-3-methylpentanamido)methyl)phenyl)acetic acid
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| Structure |
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| Formula |
C35H44N4O6
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| Molecular Weight |
616.759
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| Canonical SMILES |
CCCC[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N[C@@H]([C@H](C)CC)C(=O)NCc1ccccc1CC(O)=O
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| InChI |
InChI=1S/C35H44N4O6/c1-4-6-11-30(36)34(44)38-28-18-24(16-23-12-14-29(40)15-13-23)17-27(19-28)33(43)39-32(22(3)5-2)35(45)37-21-26-10-8-7-9-25(26)20-31(41)42/h7-10,12-15,17-19,22,30,32,40H,4-6,11,16,20-21,36H2,1-3H3,(H,37,45)(H,38,44)(H,39,43)(H,41,42)/t22-,30+,32+/m1/s1
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| InChIKey |
SPPINDVOIFWTKM-UBUDTRSQSA-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