General Information of the Compound
| Compound ID |
CP0549069
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| Compound Name |
4-amino-N-[(4-fluorophenyl)methyl]-2-[methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]butanamide
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| Formula |
C30H34FN3O
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| Molecular Weight |
471.62
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| Canonical SMILES |
CN(CCC=C1c2ccccc2CCc2ccccc12)C(CCN)C(=O)NCc1ccc(F)cc1
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| InChI |
InChI=1S/C30H34FN3O/c1-34(29(18-19-32)30(35)33-21-22-12-16-25(31)17-13-22)20-6-11-28-26-9-4-2-7-23(26)14-15-24-8-3-5-10-27(24)28/h2-5,7-13,16-17,29H,6,14-15,18-21,32H2,1H3,(H,33,35)
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| InChIKey |
XQKOUGSYVSHRGU-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: PT03076, Sodium- and chloride-dependent GABA transporter 3