General Information of the Compound
| Compound ID |
CP0358627
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| Compound Name |
(S)-4-(butyl(1-methylpyrrolidin-3-yl)amino)-2-chlorobenzonitrile
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| Structure |
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| Formula |
C16H22ClN3
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| Molecular Weight |
291.826
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| Canonical SMILES |
CCCCN([C@H]1CCN(C)C1)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C16H22ClN3/c1-3-4-8-20(15-7-9-19(2)12-15)14-6-5-13(11-18)16(17)10-14/h5-6,10,15H,3-4,7-9,12H2,1-2H3/t15-/m0/s1
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| InChIKey |
WBAATNCDCBYLGO-HNNXBMFYSA-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