General Information of the Compound
| Compound ID |
CP0427752
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| Compound Name |
4'-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-biphenyl-4-carbonitrile
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| Structure |
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| Formula |
C21H24N2O
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| Molecular Weight |
320.436
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H24N2O/c1-17-4-2-13-23(17)14-3-15-24-21-11-9-20(10-12-21)19-7-5-18(16-22)6-8-19/h5-12,17H,2-4,13-15H2,1H3/t17-/m1/s1
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| InChIKey |
GFOAZWUAIWJRDD-QGZVFWFLSA-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