General Information of the Compound
| Compound ID |
CP0397317
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| Compound Name |
4-amino-2-(4,4-diphenylbut-3-enylamino)-N-[(4-fluorophenyl)methyl]butanamide
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| Structure |
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| Formula |
C27H30FN3O
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| Molecular Weight |
431.555
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| Canonical SMILES |
NCCC(NCCC=C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1
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| InChI |
InChI=1S/C27H30FN3O/c28-24-15-13-21(14-16-24)20-31-27(32)26(17-18-29)30-19-7-12-25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-16,26,30H,7,17-20,29H2,(H,31,32)
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| InChIKey |
SBPFCSOBZCUMQN-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