General Information of the Compound
| Compound ID |
CP0951298
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)-N-(benzo[b]thiophen-2-ylmethyl)benzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
426.929
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCc3cc4ccccc4s3)c2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N4O2S.ClH/c22-11-16-10-20(25-13-24-16)27-17-6-3-5-15(8-17)21(26)23-12-18-9-14-4-1-2-7-19(14)28-18;/h1-10,13H,11-12,22H2,(H,23,26);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTAKRZMWZSJAAA-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