General Information of the Compound
| Compound ID |
CP0393588
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| Compound Name |
N-[(1-benzyltetrazol-5-yl)methyl]-4,4-diphenylbutan-1-amine
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| Structure |
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| Formula |
C25H27N5
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| Molecular Weight |
397.526
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| Canonical SMILES |
C(CNCc1nnnn1Cc1ccccc1)CC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H27N5/c1-4-11-21(12-5-1)20-30-25(27-28-29-30)19-26-18-10-17-24(22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24,26H,10,17-20H2
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| InChIKey |
QPBUUMAIPFATEO-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: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3