General Information of the Compound
| Compound ID |
CP0377228
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| Compound Name |
(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(thieno[3,2-b]thiophen-2-yl)methanone
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| Structure |
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| Formula |
C20H22FN3OS2
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| Molecular Weight |
403.548
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc3sccc3s2)nc1
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| InChI |
InChI=1S/C20H22FN3OS2/c1-14-2-3-15(23-11-14)12-22-13-20(21)5-7-24(8-6-20)19(25)18-10-17-16(27-18)4-9-26-17/h2-4,9-11,22H,5-8,12-13H2,1H3
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| InChIKey |
CDEMNZGJOJSDDX-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