General Information of the Compound
| Compound ID |
CP0414792
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34ClN5O2
|
||||||||||||||||||
| Molecular Weight |
544.099
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(o2)-c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34ClN5O2/c1-30(2,3)19-36-17-15-31(16-18-36)20-37(27-25(38)14-13-22(32)26(27)31)24-12-8-7-11-23(24)33-29-35-34-28(39-29)21-9-5-4-6-10-21/h4-14,38H,15-20H2,1-3H3,(H,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBCGTSSVFFASSE-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 | |||||||||||||||||||
| 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