General Information of the Compound
| Compound ID |
CP0115414
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| Compound Name |
2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(2-methylpropanoyl)propanamide
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| Structure |
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| Formula |
C31H32FN3O5
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| Molecular Weight |
545.611
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| Canonical SMILES |
CC(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C31H32FN3O5/c1-18(2)27(36)34-30(38)31(3,4)25-21-6-5-7-23(32)26(21)40-28-22(25)12-13-24(33-28)19-8-10-20(11-9-19)29(37)35-14-16-39-17-15-35/h5-13,18,25H,14-17H2,1-4H3,(H,34,36,38)/t25-/m0/s1
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| InChIKey |
ACSBHYLTZNDEKW-VWLOTQADSA-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