General Information of the Compound
| Compound ID |
CP0127650
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| Compound Name |
(3Z)-2-(3-isoamylimidazol-3-ium-1-yl)-4-keto-3-tosylimino-naphthalen-1-olate
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| Structure |
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| Formula |
C25H25N3O4S
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| Molecular Weight |
463.559
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| Canonical SMILES |
CC(C)CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(C)cc2)C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C25H25N3O4S/c1-17(2)12-13-27-14-15-28(16-27)23-22(24(29)20-6-4-5-7-21(20)25(23)30)26-33(31,32)19-10-8-18(3)9-11-19/h4-11,14-17H,12-13H2,1-3H3
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| InChIKey |
YCGPEXYEZIEOKG-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor