General Information of the Compound
| Compound ID |
CP0102019
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-phenyl-3-[4-[2-[[6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H34N6O3
|
||||||||||||||||||
| Molecular Weight |
562.674
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(cc23)-c2ccc(OCCN3CCCC3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H34N6O3/c40-33(37-26-6-2-1-3-7-26)38-27-12-8-24(9-13-27)16-17-34-31-29-22-30(42-32(29)36-23-35-31)25-10-14-28(15-11-25)41-21-20-39-18-4-5-19-39/h1-3,6-15,22-23H,4-5,16-21H2,(H,34,35,36)(H2,37,38,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KOTFMMXTZBRZSW-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