General Information of the Compound
| Compound ID |
CP0470683
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9035059, 6-26
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H38FN3O3S
|
||||||||||||||||||
| Molecular Weight |
587.761
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(CN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(OCCCc3ccccc3)cc2F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H38FN3O3S/c1-34(2,3)33-16-11-26(22-36-33)23-38-18-17-27-20-30(14-12-28(27)24-38)42(39,40)37-32-15-13-29(21-31(32)35)41-19-7-10-25-8-5-4-6-9-25/h4-6,8-9,11-16,20-22,37H,7,10,17-19,23-24H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWUDBQLNRARTGV-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