General Information of the Compound
| Compound ID |
CP0498627
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1,4-diazepan-1-yl)(5-fluoro-1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl-1H-indol-3-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28FN3O4S
|
||||||||||||||||||
| Molecular Weight |
473.57
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(C(=O)N2CCCNCC2)c2cc(F)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28FN3O4S/c1-15-16(2)22(9-8-21(15)32-4)33(30,31)28-17(3)23(19-14-18(25)6-7-20(19)28)24(29)27-12-5-10-26-11-13-27/h6-9,14,26H,5,10-13H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXMOMZIFWWUXHR-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