General Information of the Compound
| Compound ID |
CP0194109
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[3-[(2R)-2-[3-(cyclopropylmethoxy)phenyl]butyl]triazol-4-yl]butyl]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31N5O3
|
||||||||||||||||||
| Molecular Weight |
437.544
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31N5O3/c1-2-19(20-6-5-8-22(14-20)32-17-18-9-10-18)16-29-21(15-25-27-29)7-3-4-12-28-13-11-23(30)26-24(28)31/h5-6,8,11,13-15,18-19H,2-4,7,9-10,12,16-17H2,1H3,(H,26,30,31)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFBUOQDMVVSERY-IBGZPJMESA-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 | |||||||||||||||||||