General Information of the Compound
Compound ID
CP0870369
Compound Name
12-phenylbenzo[b]acridin-9-ol hydrochloride
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Structure
Formula
C23H16ClNO
Molecular Weight
357.84
Canonical SMILES
Cl.Oc1ccc2cc3nc4ccccc4c(-c4ccccc4)c3cc2c1
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InChI
InChI=1S/C23H15NO.ClH/c25-18-11-10-16-14-22-20(13-17(16)12-18)23(15-6-2-1-3-7-15)19-8-4-5-9-21(19)24-22;/h1-14,25H;1H
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InChIKey
HBBFTXPJHGZCRQ-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: 137641590
ChEMBL ID
CHEMBL4087989
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 = 1440 nM
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