General Information of the Compound
| Compound ID |
CP0904460
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'1-[2-(3,5-Dimethyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl]-ethane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N6S
|
||||||||||||||||||
| Molecular Weight |
342.472
|
||||||||||||||||||
| Canonical SMILES |
Cc1n[nH]c(C)c1-c1nc(NCCN)c2c3c(sc2n1)CCCC3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N6S/c1-9-13(10(2)23-22-9)16-20-15(19-8-7-18)14-11-5-3-4-6-12(11)24-17(14)21-16/h3-8,18H2,1-2H3,(H,22,23)(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WULKEWYSCWRXNC-UHFFFAOYSA-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