General Information of the Compound
| Compound ID |
CP0385215
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3260331
Show/Hide
|
||||||||||||||||||
| Formula |
C19H18ClFN8O
|
||||||||||||||||||
| Molecular Weight |
428.859
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1CC[C@@H](CC1)n1ccc(Nc2ncc3n(nnc3n2)-c2ccc(Cl)c(F)c2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18ClFN8O/c20-14-6-3-12(9-15(14)21)29-16-10-22-19(24-18(16)25-27-29)23-17-7-8-28(26-17)11-1-4-13(30)5-2-11/h3,6-11,13,30H,1-2,4-5H2,(H,22,23,24,26)/t11-,13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAXREJPFRREIOP-AULYBMBSSA-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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||