General Information of the Compound
| Compound ID |
CP0967301
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'4-((S)-2-Amino-3-phenyl-propyl)-2-pyridin-4-yl-N'7-pyrimidin-4-yl-thieno[3,2-d]pyrimidine-4,7-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22N8S
|
||||||||||||||||||
| Molecular Weight |
454.563
|
||||||||||||||||||
| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ccncn3)csc12)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22N8S/c25-18(12-16-4-2-1-3-5-16)13-28-24-22-21(31-23(32-24)17-6-9-26-10-7-17)19(14-33-22)30-20-8-11-27-15-29-20/h1-11,14-15,18H,12-13,25H2,(H,27,29,30)(H,28,31,32)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UZFOVFGTJDJNQM-SFHVURJKSA-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