General Information of the Compound
| Compound ID |
CP0375098
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[2-[3-(3,4-dichlorophenyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32Cl2N4O3
|
||||||||||||||||||
| Molecular Weight |
567.517
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)CCN(C1)C(=O)c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32Cl2N4O3/c31-24-9-8-22(19-25(24)32)29(11-17-35(20-29)27(37)26-7-4-18-39-26)10-14-34-15-12-30(13-16-34)28(38)33-21-36(30)23-5-2-1-3-6-23/h1-9,18-19H,10-17,20-21H2,(H,33,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
USIXHIUTWLPMNO-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