General Information of the Compound
| Compound ID |
CP0001546
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| Compound Name |
(E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-amine
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| Structure |
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| Formula |
C13H17Cl2N
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| Molecular Weight |
258.192
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| Canonical SMILES |
CC(C)(C)C(N)\C=C\c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C13H17Cl2N/c1-13(2,3)12(16)7-5-9-4-6-10(14)8-11(9)15/h4-8,12H,16H2,1-3H3/b7-5+
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| InChIKey |
IEJVKGOCPPYGHN-FNORWQNLSA-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
Protein ID: PT03245, Acetylcholine-binding protein
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7