General Information of the Compound
| Compound ID |
CP0768973
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-methyl-3-(4-(trifluoromethyl)piperidine-1-carbonyl)-1H-pyrrol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21F3N4O2
|
||||||||||||||||||
| Molecular Weight |
394.397
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)ccn1-c1nc2c(c(=O)[nH]1)CCC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21F3N4O2/c1-11-13(17(28)25-8-5-12(6-9-25)19(20,21)22)7-10-26(11)18-23-15-4-2-3-14(15)16(27)24-18/h7,10,12H,2-6,8-9H2,1H3,(H,23,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HBDVCJKUKSIAMC-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