General Information of the Compound
| Compound ID |
CP0277100
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| Compound Name |
2-({2-[(1Z)-5-(diethylamino)pent-1-en-1-yl]benzene}sulfonamido)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C26H34N2O4S
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| Molecular Weight |
470.635
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| Canonical SMILES |
CCN(CC)CCC\C=C/c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
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| InChI |
InChI=1S/C26H34N2O4S/c1-3-28(4-2)19-11-5-6-13-21-14-8-10-16-24(21)33(31,32)27-23-18-17-20-12-7-9-15-22(20)25(23)26(29)30/h6,8,10,13-14,16-18,27H,3-5,7,9,11-12,15,19H2,1-2H3,(H,29,30)/b13-6-
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| InChIKey |
NMAZHERCXXOERD-MLPAPPSSSA-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: PT00973, Methionine aminopeptidase 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000156 | HT-1080 | Homo sapiens (Human) | 2 |
| 1 |
EC50 = 33 nM
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TI
LI
LO
TS
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| 2 |
EC50 = 630 nM
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TI
LI
LO
TS
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