General Information of the Compound
| Compound ID |
CP0544602
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S)-2-[[[6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N5O2
|
||||||||||||||||||
| Molecular Weight |
457.578
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CC[C@H]3O)c2c1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N5O2/c1-32(2)14-15-34-21-11-8-19(9-12-21)25-23(18-6-4-3-5-7-18)24-26(29-17-30-27(24)31-25)28-16-20-10-13-22(20)33/h3-9,11-12,17,20,22,33H,10,13-16H2,1-2H3,(H2,28,29,30,31)/t20-,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KETKNUMQXCOGMK-RBBKRZOGSA-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