General Information of the Compound
| Compound ID |
CP0432877
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrimidin-5-yl-piperazin-1-yl)-ethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22ClN5O3
|
||||||||||||||||||
| Molecular Weight |
391.859
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cncnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22ClN5O3/c1-26-17-9-16(20)15(19)8-14(17)18(25)27-7-6-23-2-4-24(5-3-23)13-10-21-12-22-11-13/h8-12H,2-7,20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LXEWDHGRBMSERP-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