General Information of the Compound
Compound ID
CP0902699
Compound Name
3-Benzyl-5-(1H-indol-3-ylmethyl)-oxazolidine-2,4-dione
    Show/Hide
Structure
Formula
C19H16N2O3
Molecular Weight
320.348
Canonical SMILES
O=C1OC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1
    Show/Hide
InChI
InChI=1S/C19H16N2O3/c22-18-17(10-14-11-20-16-9-5-4-8-15(14)16)24-19(23)21(18)12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2
    Show/Hide
InChIKey
YGFQSJLSUZZAFQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.258
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
62.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10087358
SID: 15074183
ChEMBL ID
CHEMBL174465
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: PT01410, Substance-P receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6000 nM
   TI
   LI
   LO
   TS