General Information of the Compound
| Compound ID |
CP0904137
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-(((6-(Aminomethyl)pyrimidin-4-yl)oxy)methyl)phenyl)(5H-pyrrolo[2,3-b:5,4-c']dipyridin-7(6H,8H,9H)-yl)methanone hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23ClN6O2
|
||||||||||||||||||
| Molecular Weight |
450.93
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(OCc2cccc(C(=O)N3CCc4c([nH]c5ncccc45)C3)c2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22N6O2.ClH/c24-11-17-10-21(27-14-26-17)31-13-15-3-1-4-16(9-15)23(30)29-8-6-18-19-5-2-7-25-22(19)28-20(18)12-29;/h1-5,7,9-10,14H,6,8,11-13,24H2,(H,25,28);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRSVPXORETZNRB-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