General Information of the Compound
Compound ID
CP0391040
Compound Name
3-phenylphenyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
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Structure
Formula
C23H20N2O3
Molecular Weight
372.424
Canonical SMILES
Oc1ccc2[nH]cc(CCNC(=O)Oc3cccc(c3)-c3ccccc3)c2c1
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InChI
InChI=1S/C23H20N2O3/c26-19-9-10-22-21(14-19)18(15-25-22)11-12-24-23(27)28-20-8-4-7-17(13-20)16-5-2-1-3-6-16/h1-10,13-15,25-26H,11-12H2,(H,24,27)
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InChIKey
FQAMJVSKMMVDOK-UHFFFAOYSA-N
Physicochemical Property
logP
4.8716
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
74.35
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 24749587
SID: 49651730
ChEMBL ID
CHEMBL240061
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS