General Information of the Compound
| Compound ID |
CP0941758
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9187424, 211
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H19F6N5O4
|
||||||||||||||||||
| Molecular Weight |
555.435
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc3c(c2)OCO3)=C1c1nn[nH]n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19F6N5O4/c25-23(26,27)8-1-9-37-15-5-3-14(4-6-15)22(24(28,29)30)11-16(13-2-7-17-18(10-13)39-12-38-17)19(21(36)31-22)20-32-34-35-33-20/h2-7,10H,1,8-9,11-12H2,(H,31,36)(H,32,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMRUUUBGVCLORG-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