General Information of the Compound
| Compound ID |
CP0047028
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| Compound Name |
(3S)-3-(3-cyano-4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
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| Structure |
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| Formula |
C21H19N3O2S
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| Molecular Weight |
377.469
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| Canonical SMILES |
CC(C)([C@@H](c1ccccc1)c1ccc(O)c(c1)C#N)C(=O)Nc1nccs1
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| InChI |
InChI=1S/C21H19N3O2S/c1-21(2,19(26)24-20-23-10-11-27-20)18(14-6-4-3-5-7-14)15-8-9-17(25)16(12-15)13-22/h3-12,18,25H,1-2H3,(H,23,24,26)/t18-/m0/s1
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| InChIKey |
FDXWONUERKJVPB-SFHVURJKSA-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