General Information of the Compound
| Compound ID |
CP0472726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
but-3-ynyl 1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H43NO4
|
||||||||||||||||||
| Molecular Weight |
481.677
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)OCCC#C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H43NO4/c1-8-14-20-35-28(32)25-16-18-27(31(25)13-6)30(11-4,12-5)24-15-17-26(23(7)22-24)34-21-19-29(33,9-2)10-3/h1,15-18,22,33H,9-14,19-21H2,2-7H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMRCVAYQYOYENN-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