General Information of the Compound
| Compound ID |
CP0372618
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| Compound Name |
4-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
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| Structure |
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| Formula |
C14H12ClN3OS
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| Molecular Weight |
305.79
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1noc(n1)-c1sccc1Cl
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| InChI |
InChI=1S/C14H12ClN3OS/c1-18(2)10-5-3-9(4-6-10)13-16-14(19-17-13)12-11(15)7-8-20-12/h3-8H,1-2H3
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| InChIKey |
RKHRGMPUXGCCLC-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