General Information of the Compound
| Compound ID |
CP0872143
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 131
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29F5N6O
|
||||||||||||||||||
| Molecular Weight |
512.527
|
||||||||||||||||||
| Canonical SMILES |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(N3CCC(F)(F)C3)CC2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29F5N6O/c25-23(26)7-8-34(13-23)17-2-4-18(5-3-17)35-11-16(12-35)33-21(36)10-30-22-19-9-15(24(27,28)29)1-6-20(19)31-14-32-22/h1,6,9,14,16-18H,2-5,7-8,10-13H2,(H,33,36)(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVODGPORSRYQGF-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