General Information of the Compound
| Compound ID |
CP0051080
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| Compound Name |
3-{6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl}-1-[(2-methyl-5-nitrobenzene)sulfonyl]-1H-pyrazole
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| Structure |
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| Formula |
C18H14BrN5O4S
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| Molecular Weight |
476.312
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| Canonical SMILES |
Cc1nc2ccc(Br)cn2c1-c1ccn(n1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
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| InChI |
InChI=1S/C18H14BrN5O4S/c1-11-3-5-14(24(25)26)9-16(11)29(27,28)23-8-7-15(21-23)18-12(2)20-17-6-4-13(19)10-22(17)18/h3-10H,1-2H3
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| InChIKey |
VGMSSYQSLJPZJI-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: PT01368, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000045 | A-375 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 730 nM
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