General Information of the Compound
| Compound ID |
CP0904478
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-Phenyl-N'1-(2-pyridin-4-yl-7-vinyl-thieno[3,2-d]pyrimidin-4-yl)-propane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N5S
|
||||||||||||||||||
| Molecular Weight |
387.512
|
||||||||||||||||||
| Canonical SMILES |
C=Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N5S/c1-2-16-14-28-20-19(16)26-21(17-8-10-24-11-9-17)27-22(20)25-13-18(23)12-15-6-4-3-5-7-15/h2-11,14,18H,1,12-13,23H2,(H,25,26,27)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LOGYBDHXLFLDMI-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