General Information of the Compound
| Compound ID |
CP0247615
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| Compound Name |
1-(1-Benzyl-1,2,3,4-tetrahydroquinolin-6-yloxy)-3-[2-(4-methoxyphenyl)ethylamino]propan-2-ol
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| Structure |
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| Formula |
C28H34N2O3
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| Molecular Weight |
446.591
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| Canonical SMILES |
COc1ccc(CCNCC(O)COc2ccc3N(Cc4ccccc4)CCCc3c2)cc1
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| InChI |
InChI=1S/C28H34N2O3/c1-32-26-11-9-22(10-12-26)15-16-29-19-25(31)21-33-27-13-14-28-24(18-27)8-5-17-30(28)20-23-6-3-2-4-7-23/h2-4,6-7,9-14,18,25,29,31H,5,8,15-17,19-21H2,1H3
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| InChIKey |
PGFSLUFAZXXCPT-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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