General Information of the Compound
| Compound ID |
CP0493924
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| Compound Name |
2-(2-(((2S,3R)-2-(3-(4-hydroxybenzyl)-5-((S)-2-amino-3-methylbutanamido)benzamido)-3-methylpentanamido)methyl)phenyl)acetic 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 |
CC[C@@H](C)[C@H](NC(=O)c1cc(Cc2ccc(O)cc2)cc(NC(=O)[C@@H](N)C(C)C)c1)C(=O)NCc1ccccc1CC(O)=O
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| InChI |
InChI=1S/C34H42N4O6/c1-5-21(4)31(34(44)36-19-25-9-7-6-8-24(25)18-29(40)41)38-32(42)26-15-23(14-22-10-12-28(39)13-11-22)16-27(17-26)37-33(43)30(35)20(2)3/h6-13,15-17,20-21,30-31,39H,5,14,18-19,35H2,1-4H3,(H,36,44)(H,37,43)(H,38,42)(H,40,41)/t21-,30+,31+/m1/s1
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| InChIKey |
QYODAZQUNPNFRP-VHOLSGDPSA-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