General Information of the Compound
| Compound ID |
CP0469637
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(3-methylbiphenyl-4-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27N3O2
|
||||||||||||||||||
| Molecular Weight |
437.543
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1C)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N3O2/c1-19-16-23(21-6-4-3-5-7-21)10-11-25(19)28(33)30-14-15-31(20(2)18-30)27(32)24-9-8-22-12-13-29-26(22)17-24/h3-13,16-17,20,29H,14-15,18H2,1-2H3/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OAGCCFSDZUILFX-FQEVSTJZSA-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