General Information of the Compound
| Compound ID |
CP0295884
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| Compound Name |
(3S)-3-(4-hydroxy-3-methylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C20H21N3O2S
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| Molecular Weight |
367.474
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| Canonical SMILES |
Cc1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C20H21N3O2S/c1-13-11-15(9-10-16(13)24)17(14-7-5-4-6-8-14)20(2,3)18(25)22-19-23-21-12-26-19/h4-12,17,24H,1-3H3,(H,22,23,25)/t17-/m0/s1
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| InChIKey |
CUNSDNZRZMUTPA-KRWDZBQOSA-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