General Information of the Compound
| Compound ID |
CP0521495
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163012, 52
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N3O3S
|
||||||||||||||||||
| Molecular Weight |
425.554
|
||||||||||||||||||
| Canonical SMILES |
[O-][n+]1ccc(cc1)-c1csc(n1)[C@H]1CCCN1C(=O)OC1C2CC3CC(C2)CC1C3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N3O3S/c27-23(29-21-17-9-14-8-15(11-17)12-18(21)10-14)26-5-1-2-20(26)22-24-19(13-30-22)16-3-6-25(28)7-4-16/h3-4,6-7,13-15,17-18,20-21H,1-2,5,8-12H2/t14?,15?,17?,18?,20-,21?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IPVKXKXDFBXDMB-BXDRECAWSA-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