General Information of the Compound
| Compound ID |
CP0418446
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| Compound Name |
3-[(N-ethylanilino)methyl]-5-quinolin-2-yl-1,3,4-oxadiazole-2-thione
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| Structure |
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| Formula |
C20H18N4OS
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| Molecular Weight |
362.458
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| Canonical SMILES |
CCN(Cn1nc(oc1=S)-c1ccc2ccccc2n1)c1ccccc1
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| InChI |
InChI=1S/C20H18N4OS/c1-2-23(16-9-4-3-5-10-16)14-24-20(26)25-19(22-24)18-13-12-15-8-6-7-11-17(15)21-18/h3-13H,2,14H2,1H3
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| InChIKey |
KVSDGTMPUFZFMA-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