General Information of the Compound
| Compound ID |
CP0477126
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| Compound Name |
6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide
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| Synonyms |
SKF 81297 hydrochloride
SKF-81297
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| Structure |
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| Formula |
C16H16ClNO2
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| Molecular Weight |
289.762
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| Canonical SMILES |
Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
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| InChI |
InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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| InChIKey |
GHWJEDJMOVUXEC-UHFFFAOYSA-N
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| CAS |
71636-61-8
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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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound