General Information of the Compound
| Compound ID |
CP0543856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(methylsulfonamidomethyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37N5O5S
|
||||||||||||||||||
| Molecular Weight |
555.701
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)NCNS(C)(=O)=O)C2=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37N5O5S/c1-27(2,3)22-12-10-21(11-13-22)25(35)31-16-14-28(15-17-31)26(36)32(18-24(34)29-19-30-39(4,37)38)20-33(28)23-8-6-5-7-9-23/h5-13,30H,14-20H2,1-4H3,(H,29,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
COOTZLRPCYQTGR-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