General Information of the Compound
Compound ID
CP0870371
Compound Name
Benzoacridine hydrochloride
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Structure
Formula
C23H16ClN
Molecular Weight
341.841
Canonical SMILES
Cl.c1ccc(-c2c3ccccc3nc3cc4ccccc4cc23)cc1
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InChI
InChI=1S/C23H15N.ClH/c1-2-8-16(9-3-1)23-19-12-6-7-13-21(19)24-22-15-18-11-5-4-10-17(18)14-20(22)23;/h1-15H;1H
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InChIKey
WDPFUTNODZQWQL-UHFFFAOYSA-N
Physicochemical Property
logP
6.63
Rotatable Bonds
1
Heavy Atom Count
25
Polar Areas
12.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
25

"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: 137653286
ChEMBL ID
CHEMBL4094003
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
IC50 = 9390 nM
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