General Information of the Compound
| Compound ID |
CP0514986
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216182, 1.48
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29N5O2S
|
||||||||||||||||||
| Molecular Weight |
415.563
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(cn1)-c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29N5O2S/c1-16(2)24-10-12-26(13-11-24)21(27)28-18-5-8-25(9-6-18)19-4-3-17(15-23-19)20-22-7-14-29-20/h3-4,7,14-16,18H,5-6,8-13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUMOUHQHBOZZJR-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