General Information of the Compound
| Compound ID |
CP0513952
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 3-[3-[3-(dimethylamino)propoxy]benzoyl]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H37N3O4
|
||||||||||||||||||
| Molecular Weight |
503.643
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCCN(C)C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37N3O4/c1-20(2)37-29(35)24-18-33(19-30(3,4)26-23-13-7-8-14-25(23)31-27(24)26)28(34)21-11-9-12-22(17-21)36-16-10-15-32(5)6/h7-9,11-14,17-18,20,31H,10,15-16,19H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LBDCZIYLMXUQQK-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