General Information of the Compound
| Compound ID |
CP0577897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[4-[4-[3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H47N5O2
|
||||||||||||||||||
| Molecular Weight |
617.838
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H47N5O2/c1-46-36-7-4-5-32(25-36)29-43-19-16-30(17-20-43)9-15-39(45)33-10-12-35(13-11-33)44-23-21-42(22-24-44)18-3-2-6-34-28-41-38-14-8-31(27-40)26-37(34)38/h4-5,7-8,10-14,25-26,28,30,41H,2-3,6,9,15-24,29H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVKJHMRTGFNKIL-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