General Information of the Compound
| Compound ID |
CP0230072
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| Compound Name |
(3Z)-2-(3-amylimidazol-3-ium-1-yl)-3-besylimino-4-keto-naphthalen-1-olate
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| Structure |
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| Formula |
C24H23N3O4S
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| Molecular Weight |
449.532
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| Canonical SMILES |
CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C24H23N3O4S/c1-2-3-9-14-26-15-16-27(17-26)22-21(25-32(30,31)18-10-5-4-6-11-18)23(28)19-12-7-8-13-20(19)24(22)29/h4-8,10-13,15-17H,2-3,9,14H2,1H3
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| InChIKey |
CVWXODFBKWPROK-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