General Information of the Compound
| Compound ID |
CP0507342
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N6O2
|
||||||||||||||||||
| Molecular Weight |
484.604
|
||||||||||||||||||
| Canonical SMILES |
C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N6O2/c1-2-13-34(12-1)14-16-36-22-9-7-20(8-10-22)26-24(21-5-3-11-29-17-21)25-27(31-19-32-28(25)33-26)30-18-23-6-4-15-35-23/h3,5,7-11,17,19,23H,1-2,4,6,12-16,18H2,(H2,30,31,32,33)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLCIIESATDMYLX-QHCPKHFHSA-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