General Information of the Compound
| Compound ID |
CP0082136
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| Compound Name |
3,5-Dimethyl-4-(2,2,4-trimethyl-1,2-dihydro-quinolin-6-yl)-thiophene-2-carbonitrile
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| Structure |
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| Formula |
C19H20N2S
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| Molecular Weight |
308.45
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| Canonical SMILES |
Cc1sc(C#N)c(C)c1-c1ccc2NC(C)(C)C=C(C)c2c1
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| InChI |
InChI=1S/C19H20N2S/c1-11-9-19(4,5)21-16-7-6-14(8-15(11)16)18-12(2)17(10-20)22-13(18)3/h6-9,21H,1-5H3
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| InChIKey |
PPWIAXBZZBHOPE-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: PT01172, Progesterone receptor