General Information of the Compound
| Compound ID |
CP0940906
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| Compound Name |
4-(3-(2-hydroxyethoxy)phenyl)-2-thioxo-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5(2H)-one
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| Structure |
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| Formula |
C19H16N2O3S
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| Molecular Weight |
352.415
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| Canonical SMILES |
O=C1C2=C(NC(=S)NC2c2cccc(OCCO)c2)c2ccccc21
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| InChI |
InChI=1S/C19H16N2O3S/c22-8-9-24-12-5-3-4-11(10-12)16-15-17(21-19(25)20-16)13-6-1-2-7-14(13)18(15)23/h1-7,10,16,22H,8-9H2,(H2,20,21,25)
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| InChIKey |
NUSGVFGBRJCICH-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