General Information of the Compound
| Compound ID |
CP0036700
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| Compound Name |
6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Synonyms |
SK&F-104078
SK-104078
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| Structure |
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| Formula |
C16H22ClNO
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| Molecular Weight |
279.811
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| Canonical SMILES |
CN1CCc2c(Cl)ccc(OCC=C(C)C)c2CC1
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| InChI |
InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
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| InChIKey |
MBYSTKNEMJZSIK-UHFFFAOYSA-N
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| CAS |
110857-22-2
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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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Clinical Information about the Compound
Drug 1 ( SK&F-104078 )
| Drug Name | SK&F-104078 | ||
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