General Information of the Compound
| Compound ID |
CP0871673
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R,E)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethylamino)-2-oxoethyl]-2-cyano-3-(4-methoxyphenyl)acrylamide
Show/Hide
|
||||||||||||||||||
| Formula |
C41H39N7O4
|
||||||||||||||||||
| Molecular Weight |
693.808
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H39N7O4/c1-51-33-17-12-29(13-18-33)22-31(24-42)41(50)44-26-39(49)45-37(23-32-25-43-36-11-7-6-10-35(32)36)40-47-46-38(21-16-28-8-4-3-5-9-28)48(40)27-30-14-19-34(52-2)20-15-30/h3-15,17-20,22,25,37,43H,16,21,23,26-27H2,1-2H3,(H,44,50)(H,45,49)/b31-22+/t37-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MOPOOMYCKALLJW-LGGZIKKESA-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 | |||||||||||||||||||
| 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