General Information of the Compound
| Compound ID |
CP0878827
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-(7-(3,4-Dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)(4-(4-fluorophenyl)-piperazin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21Cl2F4N5O
|
||||||||||||||||||
| Molecular Weight |
554.375
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21Cl2F4N5O/c1-14-22(24(37)35-10-8-34(9-11-35)17-5-3-16(28)4-6-17)23(15-2-7-18(26)19(27)12-15)36-21(32-14)13-20(33-36)25(29,30)31/h2-7,12-13,23,32H,8-11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PIJCNMUFJKLJDM-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