General Information of the Compound
| Compound ID |
CP0418984
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| Compound Name |
N-benzyl-2-[3-fluoren-9-ylidenepropyl(methyl)amino]-4-hydroxybutanamide
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| Formula |
C28H30N2O2
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| Molecular Weight |
426.56
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| Canonical SMILES |
CN(CCC=C1c2ccccc2-c2ccccc12)C(CCO)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C28H30N2O2/c1-30(27(17-19-31)28(32)29-20-21-10-3-2-4-11-21)18-9-16-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h2-8,10-16,27,31H,9,17-20H2,1H3,(H,29,32)
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| InChIKey |
QTUSIFYNKFDOPP-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