General Information of the Compound
| Compound ID |
CP0053822
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| Compound Name |
N-[2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanoyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C32H32FN3O5
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| Molecular Weight |
557.622
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| Canonical SMILES |
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CCC1
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| InChI |
InChI=1S/C32H32FN3O5/c1-32(2,31(39)35-28(37)20-5-3-6-20)26-22-7-4-8-24(33)27(22)41-29-23(26)13-14-25(34-29)19-9-11-21(12-10-19)30(38)36-15-17-40-18-16-36/h4,7-14,20,26H,3,5-6,15-18H2,1-2H3,(H,35,37,39)/t26-/m0/s1
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| InChIKey |
LWRWYSAITIWFEP-SANMLTNESA-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