General Information of the Compound
| Compound ID |
CP0440515
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| Compound Name |
2-(((2S,3R)-2-(3-(4-hydroxybenzyl)-5-((S)-2-amino-3-methylbutanamido)benzamido)-3-methylpentanamido)methyl)benzoic acid
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| Structure |
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| Formula |
C33H40N4O6
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| Molecular Weight |
588.705
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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)NCc1ccccc1C(O)=O
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| InChI |
InChI=1S/C33H40N4O6/c1-5-20(4)29(32(41)35-18-23-8-6-7-9-27(23)33(42)43)37-30(39)24-15-22(14-21-10-12-26(38)13-11-21)16-25(17-24)36-31(40)28(34)19(2)3/h6-13,15-17,19-20,28-29,38H,5,14,18,34H2,1-4H3,(H,35,41)(H,36,40)(H,37,39)(H,42,43)/t20-,28+,29+/m1/s1
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| InChIKey |
BYFLMWCNPHKMKZ-YMUMJAELSA-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