General Information of the Compound
| Compound ID |
CP0511163
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[1-[[4-(cyclohexylsulfonylamino)phenyl]methyl]piperidin-4-yl]methyl]-1H-indole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36N4O3S
|
||||||||||||||||||
| Molecular Weight |
508.688
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36N4O3S/c33-28(26-19-29-27-9-5-4-8-25(26)27)30-18-21-14-16-32(17-15-21)20-22-10-12-23(13-11-22)31-36(34,35)24-6-2-1-3-7-24/h4-5,8-13,19,21,24,29,31H,1-3,6-7,14-18,20H2,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPUUUFHWLOIYHC-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