General Information of the Compound
| Compound ID |
CP0957323
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8653100, 52
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
515.079
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(S(=O)(=O)NCCOc2ccc3c(c2)C(C2(c4ccc(Cl)cc4)CCC2)NCC3)cn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31ClN4O3S/c1-18-30-24(17-31(18)2)35(32,33)29-14-15-34-22-9-4-19-10-13-28-25(23(19)16-22)26(11-3-12-26)20-5-7-21(27)8-6-20/h4-9,16-17,25,28-29H,3,10-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JORPSRSHZCJODF-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