General Information of the Compound
| Compound ID |
CP0519276
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-[[1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carbonyl]amino]-3-methylpentanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H52N2O5
|
||||||||||||||||||
| Molecular Weight |
556.788
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)C(NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H52N2O5/c1-10-23(7)29(31(37)39-9)34-30(36)26-17-19-28(35(26)15-6)33(13-4,14-5)25-16-18-27(24(8)22-25)40-21-20-32(38,11-2)12-3/h16-19,22-23,29,38H,10-15,20-21H2,1-9H3,(H,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HEJOBUONBHKGMA-UHFFFAOYSA-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