General Information of the Compound
| Compound ID |
CP0410986
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| Compound Name |
N-[2-[[benzyl(methyl)amino]methyl]-5-tert-butyl-3-(4-fluoro-2-methoxyphenyl)-1H-indol-7-yl]methanesulfonamide
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| Structure |
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| Formula |
C29H34FN3O3S
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| Molecular Weight |
523.674
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| Canonical SMILES |
COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)(C)C
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| InChI |
InChI=1S/C29H34FN3O3S/c1-29(2,3)20-14-23-27(22-13-12-21(30)16-26(22)36-5)25(18-33(4)17-19-10-8-7-9-11-19)31-28(23)24(15-20)32-37(6,34)35/h7-16,31-32H,17-18H2,1-6H3
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| InChIKey |
KPKCYUMBFMYREG-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: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT00870, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor