General Information of the Compound
| Compound ID |
CP0438150
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| Compound Name |
cyclohexyl 2,7,7-trimethyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C26H30F3NO3
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| Molecular Weight |
461.524
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| Canonical SMILES |
CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(c1)C(F)(F)F)C(=O)OC1CCCCC1
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| InChI |
InChI=1S/C26H30F3NO3/c1-15-21(24(32)33-18-10-5-4-6-11-18)22(16-8-7-9-17(12-16)26(27,28)29)23-19(30-15)13-25(2,3)14-20(23)31/h7-9,12,18,22,30H,4-6,10-11,13-14H2,1-3H3
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| InChIKey |
AHHGHJCNXHJFIW-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