General Information of the Compound
Compound ID
CP0438144
Compound Name
[4-tert-butyl-2-(2-phenylphenyl)-6-propan-2-ylphenyl]methanol
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Structure
Formula
C26H30O
Molecular Weight
358.525
Canonical SMILES
CC(C)c1cc(cc(c1CO)-c1ccccc1-c1ccccc1)C(C)(C)C
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InChI
InChI=1S/C26H30O/c1-18(2)23-15-20(26(3,4)5)16-24(25(23)17-27)22-14-10-9-13-21(22)19-11-7-6-8-12-19/h6-16,18,27H,17H2,1-5H3
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InChIKey
KOIVZIUIPZEGRY-UHFFFAOYSA-N
Physicochemical Property
logP
6.9338
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
27

"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: 57400888
ChEMBL ID
CHEMBL1956259
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: PT06150, Vasoactive intestinal polypeptide receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000780 RKE Rattus norvegicus (Rat)  1
1
IC50 = 3200 nM
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