General Information of the Compound
| Compound ID |
CP0335635
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| Compound Name |
2-[(5S)-2-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-fluorophenyl]-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 |
C29H24F3N5O3S
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| Molecular Weight |
579.604
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| Canonical SMILES |
CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCC(F)(F)C2)c(F)c1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C29H24F3N5O3S/c1-28(2,26(39)35-27-36-33-15-41-27)23-18-5-3-4-6-22(18)40-24-19(23)9-10-21(34-24)16-7-8-17(20(30)13-16)25(38)37-12-11-29(31,32)14-37/h3-10,13,15,23H,11-12,14H2,1-2H3,(H,35,36,39)/t23-/m0/s1
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| InChIKey |
MLKXTLBQTIQCSY-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