General Information of the Compound
| Compound ID |
CP0397509
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| Compound Name |
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
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| Structure |
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| Formula |
C17H21N3O2S
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| Molecular Weight |
331.441
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| Canonical SMILES |
COc1ccc(Nc2nc(cs2)C(=O)N2CCC(C)CC2)cc1
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| InChI |
InChI=1S/C17H21N3O2S/c1-12-7-9-20(10-8-12)16(21)15-11-23-17(19-15)18-13-3-5-14(22-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)
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| InChIKey |
QHHMGNMLPPWWIO-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: PT05347, Short transient receptor potential channel 3
Protein ID: PT04958, Short transient receptor potential channel 6