General Information of the Compound
| Compound ID |
CP0235588
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| Compound Name |
(R)-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)thiophene-2-carbonitrile
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| Structure |
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| Formula |
C21H21N3S
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| Molecular Weight |
347.487
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(s1)C#N
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| InChI |
InChI=1S/C21H21N3S/c1-15-3-2-11-24(15)12-10-16-4-7-19-17(13-16)5-8-20(23-19)21-9-6-18(14-22)25-21/h4-9,13,15H,2-3,10-12H2,1H3/t15-/m1/s1
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| InChIKey |
MHAQFNSWCQLYOT-OAHLLOKOSA-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