General Information of the Compound
| Compound ID |
CP0484984
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| Compound Name |
(S)-2-(2-((3-(4-hydroxybenzyl)-5-(2-amino-3-methylbutanamido)benzamido)methyl)phenyl)acetic acid
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| Structure |
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| Formula |
C28H31N3O5
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| Molecular Weight |
489.572
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)NCc1ccccc1CC(O)=O
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| InChI |
InChI=1S/C28H31N3O5/c1-17(2)26(29)28(36)31-23-13-19(11-18-7-9-24(32)10-8-18)12-22(14-23)27(35)30-16-21-6-4-3-5-20(21)15-25(33)34/h3-10,12-14,17,26,32H,11,15-16,29H2,1-2H3,(H,30,35)(H,31,36)(H,33,34)/t26-/m0/s1
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| InChIKey |
STMBLQPMWPNNIU-SANMLTNESA-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