General Information of the Compound
| Compound ID |
CP0561678
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| Compound Name |
4-acetamido-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 |
C32H36FN3O2
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| Molecular Weight |
513.657
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| Canonical SMILES |
CN(CCC=C1c2ccccc2CCc2ccccc12)C(CCNC(C)=O)C(=O)NCc1ccc(F)cc1
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| InChI |
InChI=1S/C32H36FN3O2/c1-23(37)34-20-19-31(32(38)35-22-24-13-17-27(33)18-14-24)36(2)21-7-12-30-28-10-5-3-8-25(28)15-16-26-9-4-6-11-29(26)30/h3-6,8-14,17-18,31H,7,15-16,19-22H2,1-2H3,(H,34,37)(H,35,38)
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| InChIKey |
BGXDFHLXJXYJEI-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