General Information of the Compound
| Compound ID |
CP0387720
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 94
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28F3N7O2
|
||||||||||||||||||
| Molecular Weight |
563.584
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)C[C@H]2CC[C@@H](CN2C1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28F3N7O2/c1-28(2)14-20-8-7-18(15-39(20)27(28)41)25-37-22(23-24(33)35-11-12-38(23)25)16-3-5-17(6-4-16)26(40)36-21-13-19(9-10-34-21)29(30,31)32/h3-6,9-13,18,20H,7-8,14-15H2,1-2H3,(H2,33,35)(H,34,36,40)/t18-,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UIPRMIFSIGXOKE-AZUAARDMSA-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