General Information of the Compound
| Compound ID |
CP0423276
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9193726, 30
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19ClF3N5O3
|
||||||||||||||||||
| Molecular Weight |
505.884
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CC3CC(=NO3)c3cc(ccc3Cl)C(F)(F)F)CCn2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19ClF3N5O3/c1-13-10-31(12-28-13)19-4-5-20-21(33)30(6-7-32(20)22(19)34)11-15-9-18(29-35-15)16-8-14(23(25,26)27)2-3-17(16)24/h2-5,8,10,12,15H,6-7,9,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPNULTTYKAGARF-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