General Information of the Compound
| Compound ID |
CP0037479
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-cyclopropylpiperazin-1-yl)(4-(3,4-dichlorophenoxy)-3-((methylamino)methyl)phenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
434.367
|
||||||||||||||||||
| Canonical SMILES |
CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25Cl2N3O2/c1-25-14-16-12-15(22(28)27-10-8-26(9-11-27)17-3-4-17)2-7-21(16)29-18-5-6-19(23)20(24)13-18/h2,5-7,12-13,17,25H,3-4,8-11,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBAQYPMYNRQKBF-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