General Information of the Compound
| Compound ID |
CP0304453
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| Compound Name |
2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C26H22FN5O3S
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| Molecular Weight |
503.559
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| Canonical SMILES |
CNC(=O)c1ccc(cc1F)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C26H22FN5O3S/c1-26(2,24(34)31-25-32-29-13-36-25)21-16-6-4-5-7-20(16)35-23-17(21)10-11-19(30-23)14-8-9-15(18(27)12-14)22(33)28-3/h4-13,21H,1-3H3,(H,28,33)(H,31,32,34)/t21-/m0/s1
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| InChIKey |
DKPAXGCEBPPSRC-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