General Information of the Compound
| Compound ID |
CP0504718
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| Compound Name |
[2-(4-chloro-2-fluoroanilino)-5-methyl-1,3-thiazol-4-yl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
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| Structure |
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| Formula |
C19H16ClFN4OS
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| Molecular Weight |
402.882
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| Canonical SMILES |
Cc1sc(Nc2ccc(Cl)cc2F)nc1C(=O)N1CCc2ncccc2C1
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| InChI |
InChI=1S/C19H16ClFN4OS/c1-11-17(18(26)25-8-6-15-12(10-25)3-2-7-22-15)24-19(27-11)23-16-5-4-13(20)9-14(16)21/h2-5,7,9H,6,8,10H2,1H3,(H,23,24)
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| InChIKey |
MSTRPYBYQABRCX-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