General Information of the Compound
| Compound ID |
CP0214051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-N,N-diethyl-isobutyramide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H46N4O
|
||||||||||||||||||
| Molecular Weight |
538.78
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)C(C)(C)c1ccc2[nH]c(c(CCNCCCCc3ccncc3)c2c1)-c1cc(C)cc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H46N4O/c1-7-39(8-2)34(40)35(5,6)29-12-13-32-31(24-29)30(33(38-32)28-22-25(3)21-26(4)23-28)16-20-36-17-10-9-11-27-14-18-37-19-15-27/h12-15,18-19,21-24,36,38H,7-11,16-17,20H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNPAXXVNNKLBEO-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