General Information of the Compound
Compound ID
CP0377958
Compound Name
5-(2-Chloro-phenyl)-3-(4-chloro-phenyl)-[1,2,4]oxadiazole
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Structure
Formula
C14H8Cl2N2O
Molecular Weight
291.137
Canonical SMILES
Clc1ccc(cc1)-c1noc(n1)-c1ccccc1Cl
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InChI
InChI=1S/C14H8Cl2N2O/c15-10-7-5-9(6-8-10)13-17-14(19-18-13)11-3-1-2-4-12(11)16/h1-8H
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InChIKey
BPCJIZYFTVPVDG-UHFFFAOYSA-N
Physicochemical Property
logP
4.7104
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
38.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 823490
ChEMBL ID
CHEMBL372238
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: PT01014, Caspase-3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
EC50 > 40000 nM
   TI
   LI
   LO
   TS
CL000095 NCI-H1299 Homo sapiens (Human)  1
1
EC50 > 40000 nM
   TI
   LI
   LO
   TS