General Information of the Compound
| Compound ID |
CP0287109
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| Compound Name |
2-(1-butyl-4-pyridinylidene)indene-1,3-dione
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| Structure |
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| Formula |
C18H17NO2
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| Molecular Weight |
279.339
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| Canonical SMILES |
CCCCN1C=CC(C=C1)=C1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C18H17NO2/c1-2-3-10-19-11-8-13(9-12-19)16-17(20)14-6-4-5-7-15(14)18(16)21/h4-9,11-12H,2-3,10H2,1H3
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| InChIKey |
NHMMAEHDXJGRMT-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