General Information of the Compound
| Compound ID |
CP0469597
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9353081, 66
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N3O3S
|
||||||||||||||||||
| Molecular Weight |
411.527
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)CCc2cc(ccc12)-c1cncc2[C@@H](CCCc12)NS(=O)(=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N3O3S/c1-25-21-9-5-14(11-15(21)6-10-22(25)26)18-12-23-13-19-17(18)3-2-4-20(19)24-29(27,28)16-7-8-16/h5,9,11-13,16,20,24H,2-4,6-8,10H2,1H3/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCOSNKRUHVSIHZ-HXUWFJFHSA-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial