General Information of the Compound
| Compound ID |
CP0849170
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N'1-[2-(5-Methyl-1H-pyrazol-4-yl)-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N6S
|
||||||||||||||||||
| Molecular Weight |
364.478
|
||||||||||||||||||
| Canonical SMILES |
Cc1[nH]ncc1-c1nc(NC[C@@H](N)Cc2ccccc2)c2sccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N6S/c1-12-15(11-22-25-12)18-23-16-7-8-26-17(16)19(24-18)21-10-14(20)9-13-5-3-2-4-6-13/h2-8,11,14H,9-10,20H2,1H3,(H,22,25)(H,21,23,24)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCZSYSLIGBKUDS-AWEZNQCLSA-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