General Information of the Compound
| Compound ID |
CP0499890
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9186360, 98
Show/Hide
|
||||||||||||||||||
| Formula |
C24H21ClF3N5O7S
|
||||||||||||||||||
| Molecular Weight |
615.974
|
||||||||||||||||||
| Canonical SMILES |
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)\N=c1/scc(-c2ccc(OC(F)(F)F)c(Cl)c2)n1COC(=O)CN
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21ClF3N5O7S/c1-11-13(19-20(36)31(2)23(37)32(3)21(19)39-11)7-17(34)30-22-33(10-38-18(35)8-29)15(9-41-22)12-4-5-16(14(25)6-12)40-24(26,27)28/h4-6,9H,7-8,10,29H2,1-3H3/b30-22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDLVKFCBCTXDOW-SWKFRHMKSA-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