General Information of the Compound
| Compound ID |
CP0113426
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| Compound Name |
(+/-)-3-((3R,4S)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydroquinolin-5-yl)acrylonitrile
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| Structure |
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| Formula |
C24H25N3O
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| Molecular Weight |
371.484
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| Canonical SMILES |
C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(\C=C\C#N)c12)-c1cccc2cc[nH]c12
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| InChI |
InChI=1S/C24H25N3O/c1-14-13-19(18-8-5-7-16-10-12-26-22(16)18)17(9-6-11-25)20-15(2)23(28)24(3,4)27-21(14)20/h5-10,12-13,15,23,26-28H,1-4H3/b9-6+/t15-,23+/m0/s1
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| InChIKey |
FEMGRFJEGDQZBL-XQTZDJHXSA-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: PT00967, Glucocorticoid receptor