General Information of the Compound
| Compound ID |
CP0192620
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| Compound Name |
2-[(2-{[3-(piperidin-1-yl)propyl]amino}benzene)sulfonamido]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C25H33N3O4S
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| Molecular Weight |
471.623
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| Canonical SMILES |
OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCCN2CCCCC2)ccc2CCCCc12
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| InChI |
InChI=1S/C25H33N3O4S/c29-25(30)24-20-10-3-2-9-19(20)13-14-22(24)27-33(31,32)23-12-5-4-11-21(23)26-15-8-18-28-16-6-1-7-17-28/h4-5,11-14,26-27H,1-3,6-10,15-18H2,(H,29,30)
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| InChIKey |
RTRXMZICIAUILM-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 = 3900 nM
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TI
LI
LO
TS
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