General Information of the Compound
| Compound ID |
CP0194318
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| Compound Name |
2,2,4-Trimethyl-6-(3-methyl-thiophen-2-yl)-1,2-dihydro-quinoline
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| Structure |
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| Formula |
C17H19NS
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| Molecular Weight |
269.413
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| Canonical SMILES |
Cc1ccsc1-c1ccc2NC(C)(C)C=C(C)c2c1
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| InChI |
InChI=1S/C17H19NS/c1-11-7-8-19-16(11)13-5-6-15-14(9-13)12(2)10-17(3,4)18-15/h5-10,18H,1-4H3
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| InChIKey |
KDEPJXRAESNIQG-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