General Information of the Compound
| Compound ID |
CP0093349
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| Compound Name |
2-[(5S)-2-(4-ethylsulfonylphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C26H24N4O4S2
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| Molecular Weight |
520.636
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C26H24N4O4S2/c1-4-36(32,33)17-11-9-16(10-12-17)20-14-13-19-22(18-7-5-6-8-21(18)34-23(19)28-20)26(2,3)24(31)29-25-30-27-15-35-25/h5-15,22H,4H2,1-3H3,(H,29,30,31)/t22-/m0/s1
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| InChIKey |
QDRMJTWDTXUBPM-QFIPXVFZSA-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