General Information of the Compound
| Compound ID |
CP0105492
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(1-cyclopropyl-2-methoxyethyl)-5-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino)-3-methyl-1,2,4-triazin-6(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23F2N5O3
|
||||||||||||||||||
| Molecular Weight |
395.41
|
||||||||||||||||||
| Canonical SMILES |
COC[C@H](C1CC1)n1nc(C)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23F2N5O3/c1-9-7-13(10(2)21-16(9)28-18(19)20)23-15-17(26)25(24-11(3)22-15)14(8-27-4)12-5-6-12/h7,12,14,18H,5-6,8H2,1-4H3,(H,22,23,24)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYXNOTCRRUXNGE-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 | |||||||||||||||||||