General Information of the Compound
| Compound ID |
CP0398166
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| Compound Name |
N-[2-(azepan-1-yl)ethyl]-1-[(3,4-dichlorophenyl)methyl]triazol-4-amine
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| Structure |
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| Formula |
C17H23Cl2N5
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| Molecular Weight |
368.312
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| Canonical SMILES |
Clc1ccc(Cn2cc(NCCN3CCCCCC3)nn2)cc1Cl
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| InChI |
InChI=1S/C17H23Cl2N5/c18-15-6-5-14(11-16(15)19)12-24-13-17(21-22-24)20-7-10-23-8-3-1-2-4-9-23/h5-6,11,13,20H,1-4,7-10,12H2
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| InChIKey |
LOAJYSQBGQBDDR-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1