General Information of the Compound
| Compound ID |
CP0450000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9273043, A122(c)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22FN5O3S
|
||||||||||||||||||
| Molecular Weight |
431.493
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(CCN1c1ncc(cc1F)[C@H](O)CO)C(=O)Nc1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22FN5O3S/c1-12-10-25(20(29)24-19-23-15-4-2-3-5-17(15)30-19)6-7-26(12)18-14(21)8-13(9-22-18)16(28)11-27/h2-5,8-9,12,16,27-28H,6-7,10-11H2,1H3,(H,23,24,29)/t12-,16+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SEQVLLSUHXLJPC-BLLLJJGKSA-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