General Information of the Compound
| Compound ID |
CP0499970
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)(4-(1-cyclohexyl-2-(diethylamino)ethyl)piperazin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H50F2N4O
|
||||||||||||||||||
| Molecular Weight |
532.764
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H50F2N4O/c1-6-34(7-2)22-29(23-11-9-8-10-12-23)35-15-17-36(18-16-35)30(38)27-21-37(31(3,4)5)20-26(27)25-14-13-24(32)19-28(25)33/h13-14,19,23,26-27,29H,6-12,15-18,20-22H2,1-5H3/t26-,27+,29?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYSIODYUHDFTRK-ZDCXKQOISA-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