General Information of the Compound
| Compound ID |
CP0319796
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| Compound Name |
2-({2-[(1-benzylpiperidin-4-yl)amino]benzene}sulfonamido)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C29H33N3O4S
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| Molecular Weight |
519.667
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| Canonical SMILES |
OC(=O)c1c(NS(=O)(=O)c2ccccc2NC2CCN(Cc3ccccc3)CC2)ccc2CCCCc12
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| InChI |
InChI=1S/C29H33N3O4S/c33-29(34)28-24-11-5-4-10-22(24)14-15-26(28)31-37(35,36)27-13-7-6-12-25(27)30-23-16-18-32(19-17-23)20-21-8-2-1-3-9-21/h1-3,6-9,12-15,23,30-31H,4-5,10-11,16-20H2,(H,33,34)
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| InChIKey |
AFHQKAWVFLMXIB-UHFFFAOYSA-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) | 1 |
| 1 |
EC50 = 86000 nM
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TI
LI
LO
TS
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