General Information of the Compound
| Compound ID |
CP0544604
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
morpholin-4-yl-[4-[4-[[(2S)-oxolan-2-yl]methylamino]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N5O3
|
||||||||||||||||||
| Molecular Weight |
483.572
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCOCC1)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N5O3/c34-28(33-12-15-35-16-13-33)21-10-8-20(9-11-21)25-23(19-5-2-1-3-6-19)24-26(30-18-31-27(24)32-25)29-17-22-7-4-14-36-22/h1-3,5-6,8-11,18,22H,4,7,12-17H2,(H2,29,30,31,32)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMKALYOYIWENJD-QFIPXVFZSA-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