General Information of the Compound
| Compound ID |
CP0046495
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| Compound Name |
2-(3-methoxyphenyl)-1H-quinazoline-4-thione
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| Structure |
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| Formula |
C15H12N2OS
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| Molecular Weight |
268.341
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| Canonical SMILES |
COc1cccc(c1)-c1nc2ccccc2c(=S)[nH]1
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| InChI |
InChI=1S/C15H12N2OS/c1-18-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(19)17-14/h2-9H,1H3,(H,16,17,19)
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| InChIKey |
SGSOUQOVKICATR-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: PT02265, Aryl hydrocarbon receptor
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT03733, Nuclear receptor subfamily 1 group I member 3
Protein ID: PT02378, Vitamin D3 receptor