General Information of the Compound
| Compound ID |
CP0572355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163011, 32
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H15ClF3N5O3
|
||||||||||||||||||
| Molecular Weight |
453.808
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#CCO)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H15ClF3N5O3/c1-18(19(22,23)9-31-17(24)28-18)15-12(21)4-5-13(26-15)27-16(30)14-11(20)7-10(8-25-14)3-2-6-29/h4-5,7-8,29H,6,9H2,1H3,(H2,24,28)(H,26,27,30)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNNDIRZJLBDRCO-GOSISDBHSA-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