General Information of the Compound
| Compound ID |
CP0122057
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5,5-dimethyl-8-[[4-(propan-2-ylamino)furo[3,2-d]pyrimidin-2-yl]amino]-1H-4,1-benzoxazepin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23N5O3
|
||||||||||||||||||
| Molecular Weight |
381.436
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1nc(Nc2ccc3c(NC(=O)COC3(C)C)c2)nc2ccoc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N5O3/c1-11(2)21-18-17-14(7-8-27-17)24-19(25-18)22-12-5-6-13-15(9-12)23-16(26)10-28-20(13,3)4/h5-9,11H,10H2,1-4H3,(H,23,26)(H2,21,22,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LERWNVIGOIELLB-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