General Information of the Compound
| Compound ID |
CP0954850
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{[3-(4-Phenylpiperazinyl)methyl]indol-1-yl}benzonitrile fumarate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28N4O4
|
||||||||||||||||||
| Molecular Weight |
508.578
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccccc1-n1cc(CN2CCN(c3ccccc3)CC2)c2ccccc21.O=C(O)/C=C/C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24N4.C4H4O4/c27-18-21-8-4-6-12-25(21)30-20-22(24-11-5-7-13-26(24)30)19-28-14-16-29(17-15-28)23-9-2-1-3-10-23;5-3(6)1-2-4(7)8/h1-13,20H,14-17,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRFHBSIDGMVPJT-WLHGVMLRSA-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