General Information of the Compound
| Compound ID |
CP0570634
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163012, 51
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N3O2S
|
||||||||||||||||||
| Molecular Weight |
409.555
|
||||||||||||||||||
| Canonical SMILES |
O=C(OC1C2CC3CC(C2)CC1C3)N1CCC(C1)c1nc(cs1)-c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N3O2S/c27-23(28-21-18-8-14-7-15(10-18)11-19(21)9-14)26-6-3-17(12-26)22-25-20(13-29-22)16-1-4-24-5-2-16/h1-2,4-5,13-15,17-19,21H,3,6-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GHQIACXVGOKCJB-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