General Information of the Compound
| Compound ID |
CP0245699
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| Compound Name |
2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-[(4-methoxyphenyl)methylcarbamoyl]-2-methylpropanamide
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| Structure |
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| Formula |
C36H35FN4O6
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| Molecular Weight |
638.696
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| Canonical SMILES |
COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(nc3Oc3c(F)cccc23)-c2ccc(cc2)C(=O)N2CCOCC2)cc1
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| InChI |
InChI=1S/C36H35FN4O6/c1-36(2,34(43)40-35(44)38-21-22-7-13-25(45-3)14-8-22)30-26-5-4-6-28(37)31(26)47-32-27(30)15-16-29(39-32)23-9-11-24(12-10-23)33(42)41-17-19-46-20-18-41/h4-16,30H,17-21H2,1-3H3,(H2,38,40,43,44)/t30-/m0/s1
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| InChIKey |
KSINXTGJLYCZIP-PMERELPUSA-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