General Information of the Compound
| Compound ID |
CP0011652
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| Compound Name |
(4-tert-butylphenyl)-[2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]methanone
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| Structure |
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| Formula |
C29H34N2O
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| Molecular Weight |
426.604
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| Canonical SMILES |
CC1CC(Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C29H34N2O/c1-19-7-14-24(15-8-19)30-26-18-21(3)31(27-16-9-20(2)17-25(26)27)28(32)22-10-12-23(13-11-22)29(4,5)6/h7-17,21,26,30H,18H2,1-6H3
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| InChIKey |
BKIDQCYOOHRQDR-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