General Information of the Compound
| Compound ID |
CP0903974
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)-5-phenyloxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H16Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
423.303
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(c2ncc(-c3ccccc3)o2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H16Cl2N4O/c1-13-20(22-25-12-18(29-22)14-5-3-2-4-6-14)21(28-19(27-13)9-10-26-28)15-7-8-16(23)17(24)11-15/h2-12,21,27H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMBHULIJMNTGRT-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 | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound