General Information of the Compound
| Compound ID |
CP0389755
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4129790
Show/Hide
|
||||||||||||||||||
| Formula |
C31H38F3N3O4S
|
||||||||||||||||||
| Molecular Weight |
605.723
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](NC(=O)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCCCC1)C(=O)N[C@H]1C[C@@H](C1)C(O)=O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38F3N3O4S/c1-3-24(31(32,33)34)37-26(38)19-12-18(13-21(14-19)30(2)9-10-30)25-23(11-17-7-5-4-6-8-17)36-28(42-25)27(39)35-22-15-20(16-22)29(40)41/h12-14,17,20,22,24H,3-11,15-16H2,1-2H3,(H,35,39)(H,37,38)(H,40,41)/t20-,22-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FPEPDZZKOGUYFO-SSPYTLHUSA-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 | |||||||||||||||||||
| 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
Protein ID: PT03033, Nuclear receptor ROR-beta
Protein ID: PT02663, Nuclear receptor ROR-gamma