General Information of the Compound
| Compound ID |
CP0299019
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1R,4S)-2-Aza-bicyclo[2.2.1]hept-2-yl-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(2-pyridin-4-yl-ethylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H44N4O
|
||||||||||||||||||
| Molecular Weight |
548.775
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CNCCc1ccncc1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C[C@H]2CC[C@@H]1C2)-c1cc(C)cc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H44N4O/c1-23-16-24(2)18-28(17-23)34-33(25(3)21-38-15-12-26-10-13-37-14-11-26)31-20-29(7-9-32(31)39-34)36(4,5)35(41)40-22-27-6-8-30(40)19-27/h7,9-11,13-14,16-18,20,25,27,30,38-39H,6,8,12,15,19,21-22H2,1-5H3/t25-,27+,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MRMBIQRAHGSBAF-JUFIIOIISA-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