General Information of the Compound
| Compound ID |
CP0952749
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-Phenyl-N'1-[7-((Z)-propenyl)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-propane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N5S
|
||||||||||||||||||
| Molecular Weight |
401.539
|
||||||||||||||||||
| Canonical SMILES |
C/C=C\c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N5S/c1-2-6-18-15-29-21-20(18)27-22(17-9-11-25-12-10-17)28-23(21)26-14-19(24)13-16-7-4-3-5-8-16/h2-12,15,19H,13-14,24H2,1H3,(H,26,27,28)/b6-2-/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KSFJZAJNFSVANY-WHBBVXQDSA-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