General Information of the Compound
| Compound ID |
CP0454976
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2-aminoethyl)[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H36N6O2
|
||||||||||||||||||
| Molecular Weight |
524.669
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NCCN)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H36N6O2/c1-38-25-14-13-23(29(19-25)39-2)21-37-30(15-12-22-8-4-3-5-9-22)35-36-31(37)28(33-17-16-32)18-24-20-34-27-11-7-6-10-26(24)27/h3-11,13-14,19-20,28,33-34H,12,15-18,21,32H2,1-2H3/t28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RWMLTVKEJBMKMC-MUUNZHRXSA-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