General Information of the Compound
| Compound ID |
CP0960323
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((3-((6-(Aminomethyl)pyrimidin-4-yl)oxy)benzamido)methyl)benzoic acid hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19ClN4O4
|
||||||||||||||||||
| Molecular Weight |
414.849
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)NCc3ccc(C(=O)O)cc3)c2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N4O4.ClH/c21-10-16-9-18(24-12-23-16)28-17-3-1-2-15(8-17)19(25)22-11-13-4-6-14(7-5-13)20(26)27;/h1-9,12H,10-11,21H2,(H,22,25)(H,26,27);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
YIJVCYFUMAYBJO-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