General Information of the Compound
| Compound ID |
CP0573091
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| Compound Name |
N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2,3-dimethoxybenzamide
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| Structure |
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| Formula |
C24H29FN2O3
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| Molecular Weight |
412.505
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| Canonical SMILES |
COc1cccc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC
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| InChI |
InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
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| InChIKey |
VGOAURMKLDUSEO-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