General Information of the Compound
| Compound ID |
CP0095541
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| Compound Name |
4-(4-(5-methylthiophen-2-yl)pyrimidin-2-ylamino)benzenesulfonamide
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| Structure |
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| Formula |
C15H14N4O2S2
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| Molecular Weight |
346.437
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| Canonical SMILES |
Cc1ccc(s1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
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| InChI |
InChI=1S/C15H14N4O2S2/c1-10-2-7-14(22-10)13-8-9-17-15(19-13)18-11-3-5-12(6-4-11)23(16,20)21/h2-9H,1H3,(H2,16,20,21)(H,17,18,19)
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| InChIKey |
MTUNOSRERUFMFB-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: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000323 | LoVo | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1660 nM
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TI
LI
LO
TS
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