General Information of the Compound
| Compound ID |
CP0537443
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| Compound Name |
2-(2,6-diethylphenyl)-5-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxy-5,6,7,8-tetrahydroquinoline
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| Structure |
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| Formula |
C29H33FN2O
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| Molecular Weight |
444.594
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| Canonical SMILES |
CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2ccc(F)cc2C1
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| InChI |
InChI=1S/C29H33FN2O/c1-4-19-8-6-9-20(5-2)28(19)25-17-27(33-3)29-24(31-25)10-7-11-26(29)32-15-14-21-12-13-23(30)16-22(21)18-32/h6,8-9,12-13,16-17,26H,4-5,7,10-11,14-15,18H2,1-3H3
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| InChIKey |
BITMMNNWKLCYEN-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