General Information of the Compound
Compound ID |
CP0436464
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Compound Name |
N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
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Structure |
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Formula |
C18H17F3N2OS
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Molecular Weight |
366.408
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Canonical SMILES |
FC(F)(F)c1ccc(cc1)C1N(CCc2sccc12)C(=O)NC1CC1
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InChI |
InChI=1S/C18H17F3N2OS/c19-18(20,21)12-3-1-11(2-4-12)16-14-8-10-25-15(14)7-9-23(16)17(24)22-13-5-6-13/h1-4,8,10,13,16H,5-7,9H2,(H,22,24)
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InChIKey |
NKTMGVQULVMCBW-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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