General Information of the Compound
| Compound ID |
CP0475993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[5-[(4-amino-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]pentyl]-3-(2,4-difluorophenyl)-1-heptylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33F2N7OS
|
||||||||||||||||||
| Molecular Weight |
505.639
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCN(CCCCCSc1nc(N)c2c[nH]nc2n1)C(=O)Nc1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33F2N7OS/c1-2-3-4-5-7-12-33(24(34)29-20-11-10-17(25)15-19(20)26)13-8-6-9-14-35-23-30-21(27)18-16-28-32-22(18)31-23/h10-11,15-16H,2-9,12-14H2,1H3,(H,29,34)(H3,27,28,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AZFYCECINWYTKN-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