General Information of the Compound
| Compound ID |
CP0665619
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N2-(3-chlorophenyl)-6-phenyl-N4-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20ClN5O
|
||||||||||||||||||
| Molecular Weight |
381.867
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(Nc2nc(NC3CCOCC3)nc(-c3ccccc3)n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20ClN5O/c21-15-7-4-8-17(13-15)23-20-25-18(14-5-2-1-3-6-14)24-19(26-20)22-16-9-11-27-12-10-16/h1-8,13,16H,9-12H2,(H2,22,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNZPXNFZJCWBDK-UHFFFAOYSA-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 | |||||||||||||||||||