General Information of the Compound
| Compound ID |
CP0491905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9035059, 7-45
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H41FN2O3S
|
||||||||||||||||||
| Molecular Weight |
564.767
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(CN2CCc3cc(ccc3C2)S(=O)(=O)Nc2ccc(CCCC3CCCC3)cc2F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H41FN2O3S/c1-24(2)39-30-14-10-27(11-15-30)22-36-19-18-28-21-31(16-13-29(28)23-36)40(37,38)35-33-17-12-26(20-32(33)34)9-5-8-25-6-3-4-7-25/h10-17,20-21,24-25,35H,3-9,18-19,22-23H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GELZIKIFQXWGPV-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