General Information of the Compound
| Compound ID |
CP0132651
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| Compound Name |
2-[(5S)-2-(3-fluoro-4-propan-2-yloxyphenyl)-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 |
C27H25FN4O3S
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| Molecular Weight |
504.587
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| Canonical SMILES |
CC(C)Oc1ccc(cc1F)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C27H25FN4O3S/c1-15(2)34-22-12-9-16(13-19(22)28)20-11-10-18-23(17-7-5-6-8-21(17)35-24(18)30-20)27(3,4)25(33)31-26-32-29-14-36-26/h5-15,23H,1-4H3,(H,31,32,33)/t23-/m0/s1
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| InChIKey |
JMBHKKUKLYMEPC-QHCPKHFHSA-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