General Information of the Compound
| Compound ID |
CP0899752
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| Compound Name |
4-(3-(4-hydroxybutoxy)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 |
C21H20N2O3S
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| Molecular Weight |
380.469
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| Canonical SMILES |
O=C1C2=C(NC(=S)NC2c2cccc(OCCCCO)c2)c2ccccc21
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| InChI |
InChI=1S/C21H20N2O3S/c24-10-3-4-11-26-14-7-5-6-13(12-14)18-17-19(23-21(27)22-18)15-8-1-2-9-16(15)20(17)25/h1-2,5-9,12,18,24H,3-4,10-11H2,(H2,22,23,27)
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| InChIKey |
DPIVYZZBFLLVQT-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