General Information of the Compound
| Compound ID |
CP0961764
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)phenyl)-3-(2-fluorophenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23FN6O
|
||||||||||||||||||
| Molecular Weight |
430.487
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1cccc(C2CCCN(c3ncnc4[nH]ccc34)C2)c1)Nc1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23FN6O/c25-20-8-1-2-9-21(20)30-24(32)29-18-7-3-5-16(13-18)17-6-4-12-31(14-17)23-19-10-11-26-22(19)27-15-28-23/h1-3,5,7-11,13,15,17H,4,6,12,14H2,(H,26,27,28)(H2,29,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SYXBOHJABFDCBQ-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