General Information of the Compound
| Compound ID |
CP0335640
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| Compound Name |
2-methyl-2-[(5S)-2-(2-methylphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C25H22N4O2S
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| Molecular Weight |
442.544
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| Canonical SMILES |
Cc1ccccc1-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C25H22N4O2S/c1-15-8-4-5-9-16(15)19-13-12-18-21(17-10-6-7-11-20(17)31-22(18)27-19)25(2,3)23(30)28-24-29-26-14-32-24/h4-14,21H,1-3H3,(H,28,29,30)/t21-/m0/s1
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| InChIKey |
YZDBRIHVGIDKMR-NRFANRHFSA-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
Cell-based Assay