General Information of the Compound
| Compound ID |
CP0959001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N'1-[2-(3-Fluoro-pyridin-4-yl)-7-o-tolyl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24FN5S
|
||||||||||||||||||
| Molecular Weight |
469.589
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1-c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3F)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24FN5S/c1-17-7-5-6-10-20(17)22-16-34-25-24(22)32-26(21-11-12-30-15-23(21)28)33-27(25)31-14-19(29)13-18-8-3-2-4-9-18/h2-12,15-16,19H,13-14,29H2,1H3,(H,31,32,33)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZLXLBUJTXOHNRH-IBGZPJMESA-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