General Information of the Compound
| Compound ID |
CP0253493
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8592432, 83
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38N8O3S
|
||||||||||||||||||
| Molecular Weight |
578.743
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2[nH]nnc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38N8O3S/c1-17(2)40-24-16-21(20-11-13-37(6)14-12-20)19(5)15-23(24)31-29-32-27(26-28(33-29)35-36-34-26)30-22-9-7-8-10-25(22)41(38,39)18(3)4/h7-10,15-18,20H,11-14H2,1-6H3,(H3,30,31,32,33,34,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYVDZBWKEAFWAG-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