General Information of the Compound
| Compound ID |
CP0213088
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| Compound Name |
2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-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 |
C29H26FN5O3S
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| Molecular Weight |
543.624
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| Canonical SMILES |
CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C29H26FN5O3S/c1-29(2,27(37)33-28-34-31-16-39-28)24-19-7-3-4-8-23(19)38-25-20(24)11-12-22(32-25)17-9-10-18(21(30)15-17)26(36)35-13-5-6-14-35/h3-4,7-12,15-16,24H,5-6,13-14H2,1-2H3,(H,33,34,37)/t24-/m0/s1
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| InChIKey |
KQCIVCUQISQLIX-DEOSSOPVSA-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