General Information of the Compound
| Compound ID |
CP0421512
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methylindol-2-yl)phenyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25N3O3
|
||||||||||||||||||
| Molecular Weight |
403.482
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(cc2ccccc12)-c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C1(O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25N3O3/c1-25-20-5-3-2-4-19(20)16-21(25)17-6-8-18(9-7-17)22(28)26-12-14-27(15-13-26)23(29)24(30)10-11-24/h2-9,16,30H,10-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIGQFVQBJKKVJJ-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