General Information of the Compound
| Compound ID |
CP0419669
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| Compound Name |
4-amino-2-[4,4-diphenylbut-3-enyl(methyl)amino]-N-[(4-methylphenyl)methyl]butanamide
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| Structure |
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| Formula |
C29H35N3O
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| Molecular Weight |
441.619
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| Canonical SMILES |
CN(CCC=C(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(C)cc1
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| InChI |
InChI=1S/C29H35N3O/c1-23-15-17-24(18-16-23)22-31-29(33)28(19-20-30)32(2)21-9-14-27(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-18,28H,9,19-22,30H2,1-2H3,(H,31,33)
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| InChIKey |
GACONIJYXPIXDE-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: PT04790, Sodium- and chloride-dependent betaine transporter
Protein ID: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3