General Information of the Compound
| Compound ID |
CP0500674
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| Compound Name |
N-benzyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C17H13N3S
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| Molecular Weight |
291.379
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| Canonical SMILES |
C(Nc1nc(cs1)C#Cc1cccnc1)c1ccccc1
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| InChI |
InChI=1S/C17H13N3S/c1-2-5-14(6-3-1)12-19-17-20-16(13-21-17)9-8-15-7-4-10-18-11-15/h1-7,10-11,13H,12H2,(H,19,20)
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| InChIKey |
JTXZUVZRBARKCD-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