General Information of the Compound
| Compound ID |
CP0286860
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| Compound Name |
(2Z,6Z)-2,6-bis(thiophen-2-ylmethylidene)cyclohexan-1-one
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| Structure |
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| Formula |
C16H14OS2
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| Molecular Weight |
286.421
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| Canonical SMILES |
O=C1\C(CCC\C1=C\c1cccs1)=C/c1cccs1
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| InChI |
InChI=1S/C16H14OS2/c17-16-12(10-14-6-2-8-18-14)4-1-5-13(16)11-15-7-3-9-19-15/h2-3,6-11H,1,4-5H2/b12-10-,13-11-
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| InChIKey |
KHXBULXCCPIELT-MIMPSMLTSA-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: PT04880, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2