General Information of the Compound
Compound ID
CP0486929
Compound Name
3'',5''-dimethoxy-[1,1';3',1'']-terphenyl-4-ol
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Synonyms
3'',5''-dimethoxy-[1,1':3',1'']-terphenyl-4-ol
BDBM50186750
CHEMBL381164
ZINC40763401
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Structure
Formula
C20H18O3
Molecular Weight
306.361
Canonical SMILES
COc1cc(OC)cc(c1)-c1cccc(c1)-c1ccc(O)cc1
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InChI
InChI=1S/C20H18O3/c1-22-19-11-17(12-20(13-19)23-2)16-5-3-4-15(10-16)14-6-8-18(21)9-7-14/h3-13,21H,1-2H3
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InChIKey
MWVCWBDXUJZBEC-UHFFFAOYSA-N
Physicochemical Property
logP
4.7434
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
38.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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).

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PubChem ID
CID: 11493254
SID: 16595165
ChEMBL ID
CHEMBL381164
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000828 HL60/MDR Homo sapiens (Human)  2
1
AC50 = 48000 nM
   TI
   LI
   LO
   TS
2
IC50 = 20000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3'',5''-dimethoxy-[1,1':3',1'']-terphenyl-4-ol )
Drug Name 3'',5''-dimethoxy-[1,1':3',1'']-terphenyl-4-ol