General Information of the Compound
| Compound ID |
CP0473038
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(4-cyclohexylbenzoyl)-3-(2-oxo-2-(piperazin-1-yl)ethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H41N5O3
|
||||||||||||||||||
| Molecular Weight |
543.712
|
||||||||||||||||||
| Canonical SMILES |
O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H41N5O3/c38-29(34-21-17-33-18-22-34)23-36-24-37(28-9-5-2-6-10-28)32(31(36)40)15-19-35(20-16-32)30(39)27-13-11-26(12-14-27)25-7-3-1-4-8-25/h2,5-6,9-14,25,33H,1,3-4,7-8,15-24H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FCLQTYQFECIMBU-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