General Information of the Compound
Compound ID
CP0576183
Compound Name
2-[(3-bromo-4-methylphenyl)iminomethyl]phenol
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Formula
C14H12BrNO
Molecular Weight
290.16
Canonical SMILES
Cc1ccc(cc1Br)\N=C\c1ccccc1O
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InChI
InChI=1S/C14H12BrNO/c1-10-6-7-12(8-13(10)15)16-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3/b16-9+
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InChIKey
AITNKGJATLPJLM-CXUHLZMHSA-N
Physicochemical Property
logP
4.21372
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
32.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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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ChEMBL ID
CHEMBL5084650
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 > 50000 nM
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