General Information of the Compound
| Compound ID |
CP0536021
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9193726, 59
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23F5N4O3
|
||||||||||||||||||
| Molecular Weight |
522.474
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(C[C@H]3CC[C@H](O3)c3ccc(cc3)C(F)(F)C(F)(F)F)CCn2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23F5N4O3/c1-15-12-33(14-31-15)19-7-8-20-22(35)32(10-11-34(20)23(19)36)13-18-6-9-21(37-18)16-2-4-17(5-3-16)24(26,27)25(28,29)30/h2-5,7-8,12,14,18,21H,6,9-11,13H2,1H3/t18-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PHBPSHKNCHUOBA-NQIIRXRSSA-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