General Information of the Compound
| Compound ID |
CP0470408
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| Compound Name |
(3-chlorothieno[2,3-b]thiophen-2-yl)(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C20H21ClFN3OS2
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| Molecular Weight |
437.993
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2sc3sccc3c2Cl)nc1
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| InChI |
InChI=1S/C20H21ClFN3OS2/c1-13-2-3-14(24-10-13)11-23-12-20(22)5-7-25(8-6-20)18(26)17-16(21)15-4-9-27-19(15)28-17/h2-4,9-10,23H,5-8,11-12H2,1H3
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| InChIKey |
ZAZVVXMVLIGNNS-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