General Information of the Compound
| Compound ID |
CP0498900
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2-dimethylpropanoyloxymethyl 4-[[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]methyl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H39N3O6
|
||||||||||||||||||
| Molecular Weight |
561.679
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)C(=O)OCOC(=O)c1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H39N3O6/c1-32(2,3)31(38)41-21-40-30(37)24-11-9-23(10-12-24)20-34-16-13-22(14-17-34)19-33-28(36)27-25-7-4-5-8-26(25)35-15-6-18-39-29(27)35/h4-5,7-12,22H,6,13-21H2,1-3H3,(H,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFKNWIKOHATLBP-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