General Information of the Compound
| Compound ID |
CP0053818
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| Compound Name |
N-acetyl-2-[(5S)-9-fluoro-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide
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| Structure |
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| Formula |
C29H28FN3O4
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| Molecular Weight |
501.558
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| Canonical SMILES |
CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C29H28FN3O4/c1-17(34)31-28(36)29(2,3)24-20-7-6-8-22(30)25(20)37-26-21(24)13-14-23(32-26)18-9-11-19(12-10-18)27(35)33-15-4-5-16-33/h6-14,24H,4-5,15-16H2,1-3H3,(H,31,34,36)/t24-/m0/s1
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| InChIKey |
NAYFBOYXQBLIBL-DEOSSOPVSA-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