General Information of the Compound
| Compound ID |
CP0444602
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| Compound Name |
(2S,3R)-2-(3-(4-hydroxybenzyl)-5-((S)-2-amino-3-methylbutanamido)benzamido)-3-methylpentanoic acid
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| Structure |
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| Formula |
C25H33N3O5
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| Molecular Weight |
455.555
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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)=O
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| InChI |
InChI=1S/C25H33N3O5/c1-5-15(4)22(25(32)33)28-23(30)18-11-17(10-16-6-8-20(29)9-7-16)12-19(13-18)27-24(31)21(26)14(2)3/h6-9,11-15,21-22,29H,5,10,26H2,1-4H3,(H,27,31)(H,28,30)(H,32,33)/t15-,21+,22+/m1/s1
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| InChIKey |
BIJUDPHLIRJQPE-YDFBLROQSA-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