General Information of the Compound
| Compound ID |
CP0429645
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10047092, 19
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16ClF3N6O
|
||||||||||||||||||
| Molecular Weight |
436.825
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1Cn2c(nnc2-c2cnc(C)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16ClF3N6O/c1-10-6-25-14(7-24-10)16-26-27-17-18(30)28(11(2)8-29(16)17)9-12-4-3-5-13(15(12)20)19(21,22)23/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKTDNPFNRSPAIL-NSHDSACASA-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
Protein ID: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7