General Information of the Compound
| Compound ID |
CP0522662
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-(3,3-dimethylbutan-2-yl) 2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Show/Hide
|
||||||||||||||||||
| Synonyms |
(S)-4-(3,3-dimethylbutan-2-yl) 2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
4-O-[(2S)-3,3-dimethylbutan-2-yl] 2-O-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylateBDBM50204428
CHEMBL232052
D-255
DM-PPP
GTPL1383
O4-(3,3-dimethylbutan-2-yl) O2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H27NO4
|
||||||||||||||||||
| Molecular Weight |
309.406
|
||||||||||||||||||
| Canonical SMILES |
CCCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(C)(C)C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H27NO4/c1-8-9-21-16(20)14-10(2)13(11(3)18-14)15(19)22-12(4)17(5,6)7/h12,18H,8-9H2,1-7H3/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DOYZAIRDDZPMQZ-LBPRGKRZSA-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
Clinical Information about the Compound