General Information of the Compound
| Compound ID |
CP0215440
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| Compound Name |
2-({2-[4-(pyrrolidin-1-yl)butanamido]benzene}sulfonamido)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C25H31N3O5S
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| Molecular Weight |
485.606
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| Canonical SMILES |
OC(=O)c1c(NS(=O)(=O)c2ccccc2NC(=O)CCCN2CCCC2)ccc2CCCCc12
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| InChI |
InChI=1S/C25H31N3O5S/c29-23(12-7-17-28-15-5-6-16-28)26-20-10-3-4-11-22(20)34(32,33)27-21-14-13-18-8-1-2-9-19(18)24(21)25(30)31/h3-4,10-11,13-14,27H,1-2,5-9,12,15-17H2,(H,26,29)(H,30,31)
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| InChIKey |
PGXQGVHNPOQAGX-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) | 2 |
| 1 |
EC50 = 430 nM
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TI
LI
LO
TS
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| 2 |
EC50 = 2800 nM
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TI
LI
LO
TS
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