General Information of the Compound
| Compound ID |
CP0493936
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| Compound Name |
3-(2-(2-Methylthiazol-4-yl)ethynyl)-5-nitrobenzonitrile
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| Structure |
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| Formula |
C13H7N3O2S
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| Molecular Weight |
269.285
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| Canonical SMILES |
Cc1nc(cs1)C#Cc1cc(cc(c1)[N+]([O-])=O)C#N
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| InChI |
InChI=1S/C13H7N3O2S/c1-9-15-12(8-19-9)3-2-10-4-11(7-14)6-13(5-10)16(17)18/h4-6,8H,1H3
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| InChIKey |
NYDDBVSTHZVPKD-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