General Information of the Compound
| Compound ID |
CP0634938
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| Compound Name |
2-(4-tert-butylphenyl)-2-phenylethanamine
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| Structure |
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| Formula |
C18H23N
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| Molecular Weight |
253.389
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| Canonical SMILES |
CC(C)(C)c1ccc(C(CN)c2ccccc2)cc1
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| InChI |
InChI=1S/C18H23N/c1-18(2,3)16-11-9-15(10-12-16)17(13-19)14-7-5-4-6-8-14/h4-12,17H,13,19H2,1-3H3
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| InChIKey |
HOVUNCHZSZVWIN-UHFFFAOYSA-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