General Information of the Compound
| Compound ID |
CP0258036
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| Compound Name |
5-(2-chlorophenyl)-8-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
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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 |
COc1cc2CCN(C)CC(c3ccccc3Cl)c2cc1O
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| InChI |
InChI=1S/C18H20ClNO2/c1-20-8-7-12-9-18(22-2)17(21)10-14(12)15(11-20)13-5-3-4-6-16(13)19/h3-6,9-10,15,21H,7-8,11H2,1-2H3
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| InChIKey |
PTYGLGJZOJASIH-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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