General Information of the Compound
| Compound ID |
CP0234749
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| Compound Name |
(3S)-3-(3-acetyl-4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
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| Structure |
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| Formula |
C22H22N2O3S
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| Molecular Weight |
394.496
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| Canonical SMILES |
CC(=O)c1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nccs1
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| InChI |
InChI=1S/C22H22N2O3S/c1-14(25)17-13-16(9-10-18(17)26)19(15-7-5-4-6-8-15)22(2,3)20(27)24-21-23-11-12-28-21/h4-13,19,26H,1-3H3,(H,23,24,27)/t19-/m0/s1
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| InChIKey |
SLUCUUURIXFPNS-IBGZPJMESA-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