General Information of the Compound
| Compound ID |
CP0436125
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R)-2-[[[6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33N5O2
|
||||||||||||||||||
| Molecular Weight |
471.605
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@H]3CCC[C@H]3O)c2c1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33N5O2/c1-33(2)15-16-35-22-13-11-20(12-14-22)26-24(19-7-4-3-5-8-19)25-27(30-18-31-28(25)32-26)29-17-21-9-6-10-23(21)34/h3-5,7-8,11-14,18,21,23,34H,6,9-10,15-17H2,1-2H3,(H2,29,30,31,32)/t21-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZNPFJXXZSFJKB-FYYLOGMGSA-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
Protein ID: PT06503, Activated CDC42 kinase 1
Protein ID: PT01754, Activated CDC42 kinase 1