General Information of the Compound
| Compound ID |
CP0531416
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| Compound Name |
N-benzyl-4-hydroxy-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 |
C30H32N2O2
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| Molecular Weight |
452.598
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| Canonical SMILES |
CN(CCC=C1c2ccccc2C=Cc2ccccc12)C(CCO)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C30H32N2O2/c1-32(29(19-21-33)30(34)31-22-23-10-3-2-4-11-23)20-9-16-28-26-14-7-5-12-24(26)17-18-25-13-6-8-15-27(25)28/h2-8,10-18,29,33H,9,19-22H2,1H3,(H,31,34)
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| InChIKey |
CPJPPVHBLDOEOJ-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