General Information of the Compound
| Compound ID |
CP0199544
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| Compound Name |
2-[(2-{[3-(dimethylamino)propyl]amino}benzene)sulfonamido]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C22H29N3O4S
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| Molecular Weight |
431.558
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| Canonical SMILES |
CN(C)CCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
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| InChI |
InChI=1S/C22H29N3O4S/c1-25(2)15-7-14-23-18-10-5-6-11-20(18)30(28,29)24-19-13-12-16-8-3-4-9-17(16)21(19)22(26)27/h5-6,10-13,23-24H,3-4,7-9,14-15H2,1-2H3,(H,26,27)
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| InChIKey |
VXNZQTZFKFJIJI-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 = 190 nM
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TI
LI
LO
TS
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| 2 |
EC50 = 1700 nM
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TI
LI
LO
TS
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