General Information of the Compound
Compound ID
CP0564372
Compound Name
N-(2-fluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide
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Structure
Formula
C16H11FN2O3
Molecular Weight
298.273
Canonical SMILES
Oc1cccc2cc(C(=O)Nc3ccccc3F)c(=N)oc12
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InChI
InChI=1S/C16H11FN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21)
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InChIKey
ZMNXHPLQWYRJBV-UHFFFAOYSA-N
Physicochemical Property
logP
3.00927
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: 19573852
ChEMBL ID
CHEMBL4642678
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 = 4400 nM
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