General Information of the Compound
| Compound ID |
CP0511518
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N3O5S
|
||||||||||||||||||
| Molecular Weight |
509.628
|
||||||||||||||||||
| Canonical SMILES |
CCN(C(=O)c1cnc2OC(C)(C)[C@@H](O)[C@H](NS(=O)(=O)c3ccc(CC)cc3)c2c1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N3O5S/c1-5-18-12-14-21(15-13-18)36(33,34)29-23-22-16-19(17-28-25(22)35-27(3,4)24(23)31)26(32)30(6-2)20-10-8-7-9-11-20/h7-17,23-24,29,31H,5-6H2,1-4H3/t23-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMQDQKCRKIKOII-RPWUZVMVSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound