General Information of the Compound
| Compound ID |
CP0497219
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| Compound Name |
3-(3-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amino}-propyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-benzo[d]azepin-2-one
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| Synonyms |
UL-FS-49
UL-FS-49CL
Zatebradine
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| Structure |
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| Formula |
C26H36N2O5
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| Molecular Weight |
456.583
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| Canonical SMILES |
COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
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| InChI |
InChI=1S/C26H36N2O5/c1-27(13-9-19-7-8-22(30-2)23(15-19)31-3)11-6-12-28-14-10-20-16-24(32-4)25(33-5)17-21(20)18-26(28)29/h7-8,15-17H,6,9-14,18H2,1-5H3
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| InChIKey |
KEDQCFRVSHYKLR-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: PT06032, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Protein ID: PT06054, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
Protein ID: PT03089, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Clinical Information about the Compound