General Information of the Compound
Compound ID
CP0049279
Compound Name
N-(4-chlorophenyl)-7-hydroxy-2-iminochromene-3-carboxamide
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Structure
Formula
C16H11ClN2O3
Molecular Weight
314.728
Canonical SMILES
Oc1ccc2cc(C(=O)Nc3ccc(Cl)cc3)c(=N)oc2c1
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InChI
InChI=1S/C16H11ClN2O3/c17-10-2-4-11(5-3-10)19-16(21)13-7-9-1-6-12(20)8-14(9)22-15(13)18/h1-8,18,20H,(H,19,21)
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InChIKey
IZSZNZIHWFFOMM-UHFFFAOYSA-N
Physicochemical Property
logP
3.52357
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: 135516469
ChEMBL ID
CHEMBL1591647
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: PT02841, Envelope glycoprotein gp160
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000442 Cf2Th-CCR5 Canis lupus familiaris (Dog)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 2592.9 nM
   TI
   LI
   LO
   TS