General Information of the Compound
| Compound ID |
CP0398882
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| Compound Name |
N-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
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| Structure |
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| Formula |
C20H21N3O3S
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| Molecular Weight |
383.473
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| Canonical SMILES |
COc1cc(ccc1C#N)-c1cn(C(C)C)c2cc(NS(C)(=O)=O)ccc12
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| InChI |
InChI=1S/C20H21N3O3S/c1-13(2)23-12-18(14-5-6-15(11-21)20(9-14)26-3)17-8-7-16(10-19(17)23)22-27(4,24)25/h5-10,12-13,22H,1-4H3
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| InChIKey |
CUIMAZBZRVOSOP-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: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor