General Information of the Compound
| Compound ID |
CP0516442
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9340500, I-040
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34F3N3O2
|
||||||||||||||||||
| Molecular Weight |
513.604
|
||||||||||||||||||
| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)CC1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34F3N3O2/c1-21-26(28(36)33-25-11-6-10-24(18-25)29(30,31)32)19-27(23-8-4-3-5-9-23)35(21)15-7-14-34(2)20-22-12-16-37-17-13-22/h3-6,8-11,18-19,22H,7,12-17,20H2,1-2H3,(H,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBCPJAUVWLHPEA-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