General Information of the Compound
| Compound ID |
CP0207774
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,3-Dimethyl-azetidin-1-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[2-(4-pyridin-3-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H46N4O
|
||||||||||||||||||
| Molecular Weight |
550.791
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)cc(c1)-c1[nH]c2ccc(cc2c1CCNCCCCc1cccnc1)C(C)(C)C(=O)N1CC(C)(C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H46N4O/c1-25-18-26(2)20-28(19-25)33-30(14-17-37-15-8-7-10-27-11-9-16-38-22-27)31-21-29(12-13-32(31)39-33)36(5,6)34(41)40-23-35(3,4)24-40/h9,11-13,16,18-22,37,39H,7-8,10,14-15,17,23-24H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CXWOZXQVEUVIRX-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