General Information of the Compound
Compound ID
CP0498645
Compound Name
1-(3-fluorophenyl)-3-(3-hydroxybenzyl)urea
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Structure
Formula
C14H13FN2O2
Molecular Weight
260.268
Canonical SMILES
Oc1cccc(CNC(=O)Nc2cccc(F)c2)c1
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InChI
InChI=1S/C14H13FN2O2/c15-11-4-2-5-12(8-11)17-14(19)16-9-10-3-1-6-13(18)7-10/h1-8,18H,9H2,(H2,16,17,19)
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InChIKey
BNDDYOAVOXATGW-UHFFFAOYSA-N
Physicochemical Property
logP
2.853
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 47297796
ChEMBL ID
CHEMBL1779837
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: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS