General Information of the Compound
| Compound ID |
CP0485251
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-1-methylindole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H37N3O6
|
||||||||||||||||||
| Molecular Weight |
547.652
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(OC)c1CNC(=O)c1cc2cc(C[C@@H](C)NC[C@H](O)c3ccc(O)c(CO)c3)ccc2n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H37N3O6/c1-19(32-17-28(37)21-9-11-27(36)23(14-21)18-35)12-20-8-10-25-22(13-20)15-26(34(25)2)31(38)33-16-24-29(39-3)6-5-7-30(24)40-4/h5-11,13-15,19,28,32,35-37H,12,16-18H2,1-4H3,(H,33,38)/t19-,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKDABDPWXDITRJ-GDJIYFAZSA-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