General Information of the Compound
| Compound ID |
CP0574888
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[4-[4-[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H44FN5O
|
||||||||||||||||||
| Molecular Weight |
605.802
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H44FN5O/c39-34-10-4-30(5-11-34)28-43-19-16-29(17-20-43)7-15-38(45)32-8-12-35(13-9-32)44-23-21-42(22-24-44)18-2-1-3-33-27-41-37-14-6-31(26-40)25-36(33)37/h4-6,8-14,25,27,29,41H,1-3,7,15-24,28H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HQEXEVZXOIIKPW-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 | |||||||||||||||||||
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