General Information of the Compound
| Compound ID |
CP0423257
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| Compound Name |
3-Methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrochloride
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| Synonyms |
2,3,4,5-Tetrahydro-3-methyl-1-phenyl-1H-3-benzazepine-7,8-diol
3-Methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol
3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
AC1L5AM7
BDBM81986
CAS_173870
CCG-205164
CHEMBL1193571
GTPL936
L000564
Lopac0_001087
NCGC00015942-02
NCGC00015942-03
NCGC00162337-01
NSC_173870
SCHEMBL11712694
SKF-75670
Skf 75670
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| Structure |
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| Formula |
C17H19NO2
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| Molecular Weight |
269.344
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| Canonical SMILES |
CN1CCc2cc(O)c(O)cc2C(C1)c1ccccc1
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| InChI |
InChI=1S/C17H19NO2/c1-18-8-7-13-9-16(19)17(20)10-14(13)15(11-18)12-5-3-2-4-6-12/h2-6,9-10,15,19-20H,7-8,11H2,1H3
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| InChIKey |
LIHCKGZEDBNUJG-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
Clinical Information about the Compound