General Information of the Compound
| Compound ID |
CP0282738
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| Compound Name |
(3Z)-2-(4-ethyl-1-pyridin-1-iumyl)-4-oxo-3-thiophen-2-ylsulfonylimino-1-naphthalenolate
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| Structure |
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| Formula |
C21H16N2O4S2
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| Molecular Weight |
424.503
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| Canonical SMILES |
CCc1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C21H16N2O4S2/c1-2-14-9-11-23(12-10-14)19-18(22-29(26,27)17-8-5-13-28-17)20(24)15-6-3-4-7-16(15)21(19)25/h3-13H,2H2,1H3
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| InChIKey |
HLGGHFZKCKYXFU-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor