General Information of the Compound
| Compound ID |
CP0504919
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| Compound Name |
3-(2-(2-methylthiazol-4-yl)ethynyl)-5-nitroiodobenzene
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| Structure |
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| Formula |
C12H7IN2O2S
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| Molecular Weight |
370.171
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| Canonical SMILES |
Cc1nc(cs1)C#Cc1cc(I)cc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C12H7IN2O2S/c1-8-14-11(7-18-8)3-2-9-4-10(13)6-12(5-9)15(16)17/h4-7H,1H3
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| InChIKey |
WNIZXOUNUCHBSF-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