General Information of the Compound
| Compound ID |
CP0044008
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| Compound Name |
(R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)benzonitrile
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| Structure |
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| Formula |
C23H23N3
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| Molecular Weight |
341.458
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C23H23N3/c1-17-3-2-13-26(17)14-12-18-6-10-23-21(15-18)9-11-22(25-23)20-7-4-19(16-24)5-8-20/h4-11,15,17H,2-3,12-14H2,1H3/t17-/m1/s1
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| InChIKey |
LQLTVDHLUGEPRE-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