General Information of the Compound
Compound ID
CP0352492
Compound Name
8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide
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Structure
Formula
C17H14N2O3
Molecular Weight
294.31
Canonical SMILES
Cc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1
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InChI
InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)
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InChIKey
SKZQOFVKMNLPBF-UHFFFAOYSA-N
Physicochemical Property
logP
3.17859
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
86.32
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 19573880
ChEMBL ID
CHEMBL4648793
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
CL000237 22Rv1 Homo sapiens (Human)  1
1
IC50 = 2400 nM
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