General Information of the Compound
| Compound ID |
CP0402082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2S)-2-methyl-3-[methyl-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxypropyl]amino]propyl] 3,4,5-trimethoxybenzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H41NO10
|
||||||||||||||||||
| Molecular Weight |
575.655
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C\C(=O)OCCCN(C)C[C@H](C)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H41NO10/c1-20(19-41-30(33)22-16-25(36-5)29(39-8)26(17-22)37-6)18-31(2)12-9-13-40-27(32)11-10-21-14-23(34-3)28(38-7)24(15-21)35-4/h10-11,14-17,20H,9,12-13,18-19H2,1-8H3/b11-10+/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQOVFYXUMLDBMQ-CFGKVWFZSA-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000031 | MDCK | Canis lupus familiaris (Dog) | 1 |
| 1 |
EC50 = 100000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|