General Information of the Compound
| Compound ID |
CP0176375
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,5R)-2-N-(7-tert-butyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23N5O2S2
|
||||||||||||||||||
| Molecular Weight |
417.56
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1nc-2c(CCc3nc(NC(=O)N4CC[C@@H]5C[C@]45C(N)=O)sc-23)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23N5O2S2/c1-18(2,3)15-22-12-11(27-15)5-4-10-13(12)28-16(21-10)23-17(26)24-7-6-9-8-19(9,24)14(20)25/h9H,4-8H2,1-3H3,(H2,20,25)(H,21,23,26)/t9-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSQLRBWAJKNKPQ-HOGDKLEQSA-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform