General Information of the Compound
| Compound ID |
CP0407559
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| Compound Name |
[2-(1,3-benzodioxol-5-ylamino)-5-methyl-1,3-thiazol-4-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
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| Structure |
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| Formula |
C22H21N3O3S
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| Molecular Weight |
407.495
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| Canonical SMILES |
CC1N(CCc2ccccc12)C(=O)c1nc(Nc2ccc3OCOc3c2)sc1C
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| InChI |
InChI=1S/C22H21N3O3S/c1-13-17-6-4-3-5-15(17)9-10-25(13)21(26)20-14(2)29-22(24-20)23-16-7-8-18-19(11-16)28-12-27-18/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,24)
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| InChIKey |
DXYANPCOKLRSRL-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