General Information of the Compound
| Compound ID |
CP0145542
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| Compound Name |
2-({2-[(pyrrolidin-3-ylmethyl)amino]benzene}sulfonamido)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C22H27N3O4S
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| Molecular Weight |
429.542
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| Canonical SMILES |
OC(=O)c1c(NS(=O)(=O)c2ccccc2NCC2CCNC2)ccc2CCCCc12
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| InChI |
InChI=1S/C22H27N3O4S/c26-22(27)21-17-6-2-1-5-16(17)9-10-19(21)25-30(28,29)20-8-4-3-7-18(20)24-14-15-11-12-23-13-15/h3-4,7-10,15,23-25H,1-2,5-6,11-14H2,(H,26,27)
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| InChIKey |
PIJOZYSVYHUJFP-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 = 380 nM
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TI
LI
LO
TS
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