General Information of the Compound
| Compound ID |
CP0853099
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| Compound Name |
4-(3-hydroxyphenyl)-2-thioxo-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5(2H)-one
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| Structure |
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| Formula |
C17H12N2O2S
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| Molecular Weight |
308.362
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| Canonical SMILES |
O=C1C2=C(NC(=S)NC2c2cccc(O)c2)c2ccccc21
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| InChI |
InChI=1S/C17H12N2O2S/c20-10-5-3-4-9(8-10)14-13-15(19-17(22)18-14)11-6-1-2-7-12(11)16(13)21/h1-8,14,20H,(H2,18,19,22)
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| InChIKey |
PUBSTYZERDDJIW-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: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1