General Information of the Compound
| Compound ID |
CP0942151
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(((6-(Aminomethyl)pyrimidin-4-yl)amino)methyl)-N-(benzo[b]thiophen-2-ylmethyl)benzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClN5OS
|
||||||||||||||||||
| Molecular Weight |
439.972
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(NCc2cccc(C(=O)NCc3cc4ccccc4s3)c2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N5OS.ClH/c23-11-18-10-21(27-14-26-18)24-12-15-4-3-6-17(8-15)22(28)25-13-19-9-16-5-1-2-7-20(16)29-19;/h1-10,14H,11-13,23H2,(H,25,28)(H,24,26,27);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
JPFPTPUOOWINOW-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