General Information of the Compound
| Compound ID |
CP0961398
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-((1H-indol-2-yl)methyl)-3-(((6-(aminomethyl)pyrimidin-4-yl)oxy)methyl)benzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClN5O2
|
||||||||||||||||||
| Molecular Weight |
423.904
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(OCc2cccc(C(=O)NCc3cc4ccccc4[nH]3)c2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N5O2.ClH/c23-11-18-10-21(26-14-25-18)29-13-15-4-3-6-17(8-15)22(28)24-12-19-9-16-5-1-2-7-20(16)27-19;/h1-10,14,27H,11-13,23H2,(H,24,28);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSPUDCMYVAGLFU-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