General Information of the Compound
| Compound ID |
CP0295461
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| Compound Name |
(+/-)-(3R,4S)-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydroquinolin-3-ol
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| Structure |
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| Formula |
C21H24N2O
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| Molecular Weight |
320.436
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| Canonical SMILES |
C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(cc12)-c1cccc2cc[nH]c12
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| InChI |
InChI=1S/C21H24N2O/c1-12-10-15(16-7-5-6-14-8-9-22-19(14)16)11-17-13(2)20(24)21(3,4)23-18(12)17/h5-11,13,20,22-24H,1-4H3/t13-,20+/m0/s1
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| InChIKey |
KBVAAPQYHHBNTR-RNODOKPDSA-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