General Information of the Compound
| Compound ID |
CP0941836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-7-(3,4-dichlorophenyl)-5-methyl-6-(1-(3,3,3-trifluoropropyl)-1H-1,2,4-triazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15Cl2F3N6
|
||||||||||||||||||
| Molecular Weight |
443.26
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(c2ncnn2CCC(F)(F)F)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15Cl2F3N6/c1-10-15(17-24-9-26-28(17)7-5-18(21,22)23)16(29-14(27-10)4-6-25-29)11-2-3-12(19)13(20)8-11/h2-4,6,8-9,16,27H,5,7H2,1H3/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NFZSGVMEXDSCFR-MRXNPFEDSA-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