General Information of the Compound
| Compound ID |
CP0495384
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| Compound Name |
N-(3-fluorophenyl)-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 |
C21H16F4N2OS
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| Molecular Weight |
420.431
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| Canonical SMILES |
Fc1cccc(NC(=O)N2CCc3sccc3C2c2ccc(cc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C21H16F4N2OS/c22-15-2-1-3-16(12-15)26-20(28)27-10-8-18-17(9-11-29-18)19(27)13-4-6-14(7-5-13)21(23,24)25/h1-7,9,11-12,19H,8,10H2,(H,26,28)
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| InChIKey |
LJWFMELYNHKQCS-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