General Information of the Compound
| Compound ID |
CP0246348
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{2-(3,5-Dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-1-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-2-methyl-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H50N4O3
|
||||||||||||||||||
| Molecular Weight |
622.854
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CNCCCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CCC2(CC1)OCCO2)-c1cc(C)cc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H50N4O3/c1-27-22-28(2)24-31(23-27)36-35(29(3)26-41-15-7-6-8-30-11-16-40-17-12-30)33-25-32(9-10-34(33)42-36)38(4,5)37(44)43-18-13-39(14-19-43)45-20-21-46-39/h9-12,16-17,22-25,29,41-42H,6-8,13-15,18-21,26H2,1-5H3/t29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IYGYRWANFOTYSP-GDLZYMKVSA-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