General Information of the Compound
| Compound ID |
CP0527514
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Methyl-2-((R)-2-(1-methyl-1H-indol-3-yl)-1-{(S)-4-methyl-2-[3-(3-methyl-cyclohexyl)-ureido]-pentanoylamino}-ethyl)-1H-imidazole-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H42N6O4
|
||||||||||||||||||
| Molecular Weight |
550.704
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)NC1CCCC(C)C1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H42N6O4/c1-17(2)13-24(34-30(40)32-21-10-8-9-18(3)14-21)28(37)33-23(27-31-19(4)26(35-27)29(38)39)15-20-16-36(5)25-12-7-6-11-22(20)25/h6-7,11-12,16-18,21,23-24H,8-10,13-15H2,1-5H3,(H,31,35)(H,33,37)(H,38,39)(H2,32,34,40)/t18?,21?,23-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YODBGBBLOOMVGQ-VJZJYSEDSA-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