General Information of the Compound
| Compound ID |
CP0954137
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N'1-[2-(3-Fluoro-pyridin-4-yl)-7-pyridin-3-yl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21FN6S
|
||||||||||||||||||
| Molecular Weight |
456.55
|
||||||||||||||||||
| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3cccnc3)csc12)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21FN6S/c26-21-14-29-10-8-19(21)24-31-22-20(17-7-4-9-28-12-17)15-33-23(22)25(32-24)30-13-18(27)11-16-5-2-1-3-6-16/h1-10,12,14-15,18H,11,13,27H2,(H,30,31,32)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGSXHHJZVCHOMR-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