General Information of the Compound
| Compound ID |
CP0068590
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23ClFN5O5S
|
||||||||||||||||||
| Molecular Weight |
560.007
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@H](C)Cn1cnc2ccc(cc2c1=O)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23ClFN5O5S/c1-14(23(33)28-2)12-32-13-30-20-6-4-15(8-18(20)25(32)34)16-9-21(24(37-3)29-11-16)31-38(35,36)22-7-5-17(27)10-19(22)26/h4-11,13-14,31H,12H2,1-3H3,(H,28,33)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LPATWVFSBNDSHR-CQSZACIVSA-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 | |||||||||||||||||||