General Information of the Compound
| Compound ID |
CP0569440
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-4-methyl-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29ClN6O3
|
||||||||||||||||||
| Molecular Weight |
472.977
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2NC(=O)OC(C)c12)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29ClN6O3/c1-14(2)25-12-18(16-4-6-17(24)7-5-16)22(31)30-10-8-29(9-11-30)21-19-15(3)33-23(32)28-20(19)26-13-27-21/h4-7,13-15,18,25H,8-12H2,1-3H3,(H,26,27,28,32)/t15?,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DHMFFVNUPLZBKN-KPMSDPLLSA-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 | |||||||||||||||||||
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: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Protein ID: PT01022, RAC-gamma serine/threonine-protein kinase