General Information of the Compound
| Compound ID |
CP0916116
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| Compound Name |
3-(5-oxo-2-thioxo-2,3,4,5-tetrahydro-1H-indeno[1,2-d]pyrimidin-4-yl)benzoic acid
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| Structure |
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| Formula |
C18H12N2O3S
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| Molecular Weight |
336.372
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| Canonical SMILES |
O=C(O)c1cccc(C2NC(=S)NC3=C2C(=O)c2ccccc23)c1
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| InChI |
InChI=1S/C18H12N2O3S/c21-16-12-7-2-1-6-11(12)15-13(16)14(19-18(24)20-15)9-4-3-5-10(8-9)17(22)23/h1-8,14H,(H,22,23)(H2,19,20,24)
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| InChIKey |
WINUVFQXELQOGL-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