General Information of the Compound
| Compound ID |
CP0926416
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[(S)-1-((R)-2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethylamino)-1-oxopropan-2-yl]-2-cyano-3-(4-methoxyphenyl)acrylamide
Show/Hide
|
||||||||||||||||||
| Formula |
C42H41N7O4
|
||||||||||||||||||
| Molecular Weight |
707.835
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H41N7O4/c1-28(45-42(51)32(25-43)23-30-13-18-34(52-2)19-14-30)41(50)46-38(24-33-26-44-37-12-8-7-11-36(33)37)40-48-47-39(22-17-29-9-5-4-6-10-29)49(40)27-31-15-20-35(53-3)21-16-31/h4-16,18-21,23,26,28,38,44H,17,22,24,27H2,1-3H3,(H,45,51)(H,46,50)/b32-23+/t28-,38+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GUDCIMUQXREERB-QNVYJMACSA-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