General Information of the Compound
| Compound ID |
CP0397644
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2204264
Show/Hide
|
||||||||||||||||||
| Formula |
C24H29F3N4O3S
|
||||||||||||||||||
| Molecular Weight |
510.582
|
||||||||||||||||||
| Canonical SMILES |
CCc1ncc(s1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29F3N4O3S/c1-2-21-28-11-19(35-21)23(34)8-6-18(7-9-23)31-13-17(14-31)30-20(32)12-29-22(33)15-4-3-5-16(10-15)24(25,26)27/h3-5,10-11,17-18,34H,2,6-9,12-14H2,1H3,(H,29,33)(H,30,32)/t18-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXKBVJAXKISXMR-RXAXNXDRSA-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
Protein ID: PT01021, C-C chemokine receptor type 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2