General Information of the Compound
| Compound ID |
CP0476517
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| Compound Name |
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)methanone
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| Structure |
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| Formula |
C18H21N3O3S
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| Molecular Weight |
359.451
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| Canonical SMILES |
CC1CCCN(C1C)C(=O)c1csc(Nc2ccc3OCOc3c2)n1
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| InChI |
InChI=1S/C18H21N3O3S/c1-11-4-3-7-21(12(11)2)17(22)14-9-25-18(20-14)19-13-5-6-15-16(8-13)24-10-23-15/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,19,20)
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| InChIKey |
OIKKWZUQICZOOT-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