General Information of the Compound
Compound ID
CP0944910
Compound Name
3-(3,5-Dichloro-benzyl)-5-(1H-indol-3-ylmethyl)-oxazolidine-2,4-dione
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Structure
Formula
C19H14Cl2N2O3
Molecular Weight
389.238
Canonical SMILES
O=C1OC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(Cl)cc(Cl)c1
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InChI
InChI=1S/C19H14Cl2N2O3/c20-13-5-11(6-14(21)8-13)10-23-18(24)17(26-19(23)25)7-12-9-22-16-4-2-1-3-15(12)16/h1-6,8-9,17,22H,7,10H2
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InChIKey
DFHHBLPOXVRUDS-UHFFFAOYSA-N
Physicochemical Property
logP
4.5648
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
62.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 10045837
SID: 15029218
ChEMBL ID
CHEMBL176919
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 = 273 nM
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