General Information of the Compound
| Compound ID |
CP0349459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-ethoxyethyl)-N-[(2S)-2-hydroxy-3-[2-(3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-9-yl]propyl]-2,6-dimethylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H43N7O4S
|
||||||||||||||||||
| Molecular Weight |
585.775
|
||||||||||||||||||
| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(CCN(C2)c2ncnc3n[nH]c(C)c23)C1)S(=O)(=O)c1c(C)cccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H43N7O4S/c1-5-40-15-14-36(41(38,39)26-21(2)8-6-9-22(26)3)17-24(37)16-34-12-7-10-29(18-34)11-13-35(19-29)28-25-23(4)32-33-27(25)30-20-31-28/h6,8-9,20,24,37H,5,7,10-19H2,1-4H3,(H,30,31,32,33)/t24-,29?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRCKNRHULLJPNN-CTLOQAHHSA-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