General Information of the Compound
| Compound ID |
CP0373112
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| Compound Name |
2-(2,6-diethylphenyl)-4-methoxy-5-[8-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5,6,7,8-tetrahydroquinoline
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| Structure |
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| Formula |
C30H33F3N2O
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| Molecular Weight |
494.601
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| Canonical SMILES |
CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2cccc(c2C1)C(F)(F)F
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| InChI |
InChI=1S/C30H33F3N2O/c1-4-19-9-6-10-20(5-2)28(19)25-17-27(36-3)29-24(34-25)13-8-14-26(29)35-16-15-21-11-7-12-23(22(21)18-35)30(31,32)33/h6-7,9-12,17,26H,4-5,8,13-16,18H2,1-3H3
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| InChIKey |
WHPOPVNAZREUII-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