General Information of the Compound
| Compound ID |
CP0473699
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| Compound Name |
(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(4-methylthiophen-2-yl)methanone
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| Structure |
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| Formula |
C19H24FN3OS
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| Molecular Weight |
361.486
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| Canonical SMILES |
Cc1csc(c1)C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
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| InChI |
InChI=1S/C19H24FN3OS/c1-14-3-4-16(22-10-14)11-21-13-19(20)5-7-23(8-6-19)18(24)17-9-15(2)12-25-17/h3-4,9-10,12,21H,5-8,11,13H2,1-2H3
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| InChIKey |
FKKTTZAYOLFUGU-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