General Information of the Compound
| Compound ID |
CP0449553
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
D3RKN_29
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28F3N7O3S2
|
||||||||||||||||||
| Molecular Weight |
667.739
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(20-5-3-8-23(26(20)34)40-46(42,43)29-21(32)6-4-7-22(29)33)28(45-30)24-11-12-35-31(38-24)37-19-9-10-25(36-17-19)41-13-15-44-16-14-41/h3-12,17-18,40H,13-16H2,1-2H3,(H,35,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AEUDFMRQSRTMSH-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