General Information of the Compound
| Compound ID |
CP0576776
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[4-[4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanoyl]phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H42N6O
|
||||||||||||||||||
| Molecular Weight |
574.773
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCC1CCN(Cc2cccnc2)CC1)c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H42N6O/c37-24-29-5-11-35-34(23-29)32(26-39-35)4-2-16-40-19-21-42(22-20-40)33-9-7-31(8-10-33)36(43)12-6-28-13-17-41(18-14-28)27-30-3-1-15-38-25-30/h1,3,5,7-11,15,23,25-26,28,39H,2,4,6,12-14,16-22,27H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZDZFKPGNSHRDH-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