General Information of the Compound
| Compound ID |
CP0282675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-[3-(2,2-diphenylethyl)triazol-4-yl]propyl]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N5O2
|
||||||||||||||||||
| Molecular Weight |
401.47
|
||||||||||||||||||
| Canonical SMILES |
O=c1ccn(CCCc2cnnn2CC(c2ccccc2)c2ccccc2)c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N5O2/c29-22-13-15-27(23(30)25-22)14-7-12-20-16-24-26-28(20)17-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,15-16,21H,7,12,14,17H2,(H,25,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CLUFWYVEHITWNZ-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 | |||||||||||||||||||