General Information of the Compound
| Compound ID |
CP0472808
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| Compound Name |
1-bicyclo[3.3.1]nonanyl-[4-fluoro-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C23H34FN3O
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| Molecular Weight |
387.543
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CCCC(CCC2)C3)nc1
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| InChI |
InChI=1S/C23H34FN3O/c1-18-6-7-20(26-15-18)16-25-17-23(24)10-12-27(13-11-23)21(28)22-8-2-4-19(14-22)5-3-9-22/h6-7,15,19,25H,2-5,8-14,16-17H2,1H3
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| InChIKey |
FCIDDIZCYAQZIH-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