General Information of the Compound
| Compound ID |
CP0464649
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| Compound Name |
5-(3-Chloro-thiophen-2-yl)-3-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazole
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| Structure |
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| Formula |
C13H6ClF3N2OS
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| Molecular Weight |
330.718
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1noc(n1)-c1sccc1Cl
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| InChI |
InChI=1S/C13H6ClF3N2OS/c14-9-5-6-21-10(9)12-18-11(19-20-12)7-1-3-8(4-2-7)13(15,16)17/h1-6H
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| InChIKey |
PDJHJNIKXHBBMQ-UHFFFAOYSA-N
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| Physicochemical Property |
"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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01014, Caspase-3
Cell-based Assay
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000095 | NCI-H1299 | Homo sapiens (Human) | 1 |
| 1 |
GI50 > 10000 nM
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TI
LI
LO
TS
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| CL000134 | DLD-1 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 770 nM
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TI
LI
LO
TS
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