General Information of the Compound
Compound ID
CP0898549
Compound Name
12-phenylbenzo[b]acridin-4-ol hydrochloride
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Structure
Formula
C23H16ClNO
Molecular Weight
357.84
Canonical SMILES
Cl.Oc1cccc2c(-c3ccccc3)c3cc4ccccc4cc3nc12
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InChI
InChI=1S/C23H15NO.ClH/c25-21-12-6-11-18-22(15-7-2-1-3-8-15)19-13-16-9-4-5-10-17(16)14-20(19)24-23(18)21;/h1-14,25H;1H
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InChIKey
GICLKKSOUGGIQU-UHFFFAOYSA-N
Physicochemical Property
logP
6.3356
Rotatable Bonds
1
Heavy Atom Count
26
Polar Areas
33.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 137652975
ChEMBL ID
CHEMBL4092300
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: PT00886, Estrogen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 1330 nM
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