General Information of the Compound
| Compound ID |
CP0475094
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| Compound Name |
N-[(1-cyclohexyltetrazol-5-yl)methyl]-3,3-diphenylprop-2-en-1-amine
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| Structure |
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| Formula |
C23H27N5
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| Molecular Weight |
373.504
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| Canonical SMILES |
C(NCc1nnnn1C1CCCCC1)C=C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C23H27N5/c1-4-10-19(11-5-1)22(20-12-6-2-7-13-20)16-17-24-18-23-25-26-27-28(23)21-14-8-3-9-15-21/h1-2,4-7,10-13,16,21,24H,3,8-9,14-15,17-18H2
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| InChIKey |
LLRBBEMPODQJJC-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