General Information of the Compound
| Compound ID |
CP0412017
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| Compound Name |
(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(4,5,6,7-tetrahydrobenzo[c]thiophen-1-yl)methanone
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| Structure |
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| Formula |
C22H28FN3OS
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| Molecular Weight |
401.551
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2scc3CCCCc23)nc1
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| InChI |
InChI=1S/C22H28FN3OS/c1-16-6-7-18(25-12-16)13-24-15-22(23)8-10-26(11-9-22)21(27)20-19-5-3-2-4-17(19)14-28-20/h6-7,12,14,24H,2-5,8-11,13,15H2,1H3
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| InChIKey |
ZCUHXGWCTFAAEK-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