General Information of the Compound
| Compound ID |
CP0351270
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9085576, 370
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21ClF3N3O
|
||||||||||||||||||
| Molecular Weight |
435.877
|
||||||||||||||||||
| Canonical SMILES |
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2(CC2)c2ccc(Cl)cc2)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClF3N3O/c23-13-3-1-12(2-4-13)21(7-8-21)11-28-14-5-6-17(24)15(9-14)22(19(25)26)16-10-18(16)30-20(27)29-22/h1-6,9,16,18-19,28H,7-8,10-11H2,(H2,27,29)/t16-,18+,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SXNZDNAXNDWVBG-AQOAWAETSA-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