General Information of the Compound
| Compound ID |
CP0004753
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| Compound Name |
(4-chlorophenyl)-[6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
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| Structure |
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| Formula |
C23H19ClF2N2O
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| Molecular Weight |
412.867
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| Canonical SMILES |
CC1CC(Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H19ClF2N2O/c1-14-12-21(27-19-9-6-17(25)7-10-19)20-13-18(26)8-11-22(20)28(14)23(29)15-2-4-16(24)5-3-15/h2-11,13-14,21,27H,12H2,1H3
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| InChIKey |
WTBVRUDVERRJSI-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
Protein ID: PT06098, Ecdysone receptor
Protein ID: PT00632, Ecdysone receptor