General Information of the Compound
| Compound ID |
CP0046360
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| Compound Name |
2-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile
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| Structure |
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| Formula |
C18H22N2O
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| Molecular Weight |
282.387
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| Canonical SMILES |
CC(C)(C)c1cc(C=C(C#N)C#N)cc(c1O)C(C)(C)C
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| InChI |
InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3
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| InChIKey |
MZOPWQKISXCCTP-UHFFFAOYSA-N
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| CAS |
10537-47-0
51601-81-1
68072-88-8
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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: PT01065, Serine/threonine-protein kinase mTOR