General Information of the Compound
| Compound ID |
CP0838149
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-methyl-4-(4-(4-phenylthiazol-2-yl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N6O2S
|
||||||||||||||||||
| Molecular Weight |
486.601
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N6O2S/c1-16-20(14-27-32(16)26-29-21-9-5-8-19(21)23(33)30-26)25(34)31-12-10-18(11-13-31)24-28-22(15-35-24)17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13H2,1H3,(H,29,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QZMNZOKFKLHUKQ-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