General Information of the Compound
| Compound ID |
CP0045276
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| Compound Name |
2-{[2-({2-[bis(propan-2-yl)amino]ethyl}amino)benzene]sulfonamido}-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C25H35N3O4S
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| Molecular Weight |
473.639
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| Canonical SMILES |
CC(C)N(CCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O)C(C)C
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| InChI |
InChI=1S/C25H35N3O4S/c1-17(2)28(18(3)4)16-15-26-21-11-7-8-12-23(21)33(31,32)27-22-14-13-19-9-5-6-10-20(19)24(22)25(29)30/h7-8,11-14,17-18,26-27H,5-6,9-10,15-16H2,1-4H3,(H,29,30)
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| InChIKey |
YKWWSOSEACKOKF-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 = 640 nM
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TI
LI
LO
TS
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| 2 |
EC50 = 1800 nM
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TI
LI
LO
TS
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