General Information of the Compound
| Compound ID |
CP0531381
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| Compound Name |
4-hydroxy-N-[(4-methylphenyl)methyl]-2-[methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]amino]butanamide
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| Formula |
C31H34N2O2
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| Molecular Weight |
466.625
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| Canonical SMILES |
CN(CCC=C1c2ccccc2C=Cc2ccccc12)C(CCO)C(=O)NCc1ccc(C)cc1
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| InChI |
InChI=1S/C31H34N2O2/c1-23-13-15-24(16-14-23)22-32-31(35)30(19-21-34)33(2)20-7-12-29-27-10-5-3-8-25(27)17-18-26-9-4-6-11-28(26)29/h3-6,8-18,30,34H,7,19-22H2,1-2H3,(H,32,35)
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| InChIKey |
WGLCDWHJIWUMMY-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