General Information of the Compound
| Compound ID |
CP0454974
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H41N7O3
|
||||||||||||||||||
| Molecular Weight |
631.781
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H41N7O3/c1-46-28-13-11-26(34(20-28)47-2)23-44-35(14-12-25-21-39-31-9-5-3-7-29(25)31)42-43-36(44)33(41-37(45)24-15-17-38-18-16-24)19-27-22-40-32-10-6-4-8-30(27)32/h3-11,13,20-22,24,33,38-40H,12,14-19,23H2,1-2H3,(H,41,45)/t33-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRFWOWNZIQIQTQ-MGBGTMOVSA-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