General Information of the Compound
| Compound ID |
CP0579759
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(dimethylamino)-9- methyl-6-(3-(3- (methylamino)-1- (thiophen-2- yl)propoxy)phenyl)- 6,7,8,9-tetrahydro-5H- pyrimido[4,5- e][1,4]diazepin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30N6O2S
|
||||||||||||||||||
| Molecular Weight |
466.611
|
||||||||||||||||||
| Canonical SMILES |
CNCCC(Oc1cccc(c1)N1CCN(C)c2nc(ncc2C1=O)N(C)C)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N6O2S/c1-25-11-10-20(21-9-6-14-33-21)32-18-8-5-7-17(15-18)30-13-12-29(4)22-19(23(30)31)16-26-24(27-22)28(2)3/h5-9,14-16,20,25H,10-13H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YCGNFTGPXBAEMC-UHFFFAOYSA-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