General Information of the Compound
| Compound ID |
CP0136432
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| Compound Name |
(S)-2-chloro-4-((1-methylpyrrolidin-3-yl)(propyl)amino)benzonitrile
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| Structure |
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| Formula |
C15H20ClN3
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| Molecular Weight |
277.799
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| Canonical SMILES |
CCCN([C@H]1CCN(C)C1)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C15H20ClN3/c1-3-7-19(14-6-8-18(2)11-14)13-5-4-12(10-17)15(16)9-13/h4-5,9,14H,3,6-8,11H2,1-2H3/t14-/m0/s1
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| InChIKey |
UUAAKAQBPJEPBW-AWEZNQCLSA-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