General Information of the Compound
| Compound ID |
CP0783981
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| Compound Name |
(+/-)-4-((3R,4S)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydroquinolin-5-yl)but-3-en-2-one
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| Structure |
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| Formula |
C25H28N2O2
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| Molecular Weight |
388.511
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| Canonical SMILES |
CC(=O)/C=C/c1c(-c2cccc3cc[nH]c23)cc(C)c2c1[C@H](C)[C@@H](O)C(C)(C)N2
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| InChI |
InChI=1S/C25H28N2O2/c1-14-13-20(19-8-6-7-17-11-12-26-23(17)19)18(10-9-15(2)28)21-16(3)24(29)25(4,5)27-22(14)21/h6-13,16,24,26-27,29H,1-5H3/b10-9+/t16-,24+/m0/s1
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| InChIKey |
AZZFDTTVGWXWEX-VTBUKHSZSA-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