General Information of the Compound
| Compound ID |
CP0416583
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| Compound Name |
6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide
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| Synonyms |
SKF 83959
SKF-83959
SKF83959
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| Structure |
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| Formula |
C18H20ClNO2
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| Molecular Weight |
317.816
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| Canonical SMILES |
CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1cccc(C)c1
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| InChI |
InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3
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| InChIKey |
JXMYTVOBSFOHAF-UHFFFAOYSA-N
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| CAS |
80751-85-5
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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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound