General Information of the Compound
| Compound ID |
CP0288207
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| Compound Name |
(+/-)-(3R,4S)-3-hydroxy-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-1,2,3,4-tetrahydroquinoline-5-carbonitrile
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| Structure |
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| Formula |
C22H23N3O
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| Molecular Weight |
345.446
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| Canonical SMILES |
C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(-c3cccc4cc[nH]c34)c(C#N)c12
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| InChI |
InChI=1S/C22H23N3O/c1-12-10-16(15-7-5-6-14-8-9-24-20(14)15)17(11-23)18-13(2)21(26)22(3,4)25-19(12)18/h5-10,13,21,24-26H,1-4H3/t13-,21+/m0/s1
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| InChIKey |
WHYJKLKNLKBEKQ-YEJXKQKISA-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