General Information of the Compound
| Compound ID |
CP0479831
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| Compound Name |
4-(3-cyanophenoxy)-N-(5-cyano-1,3-thiazol-2-yl)butanamide
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| Structure |
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| Formula |
C15H12N4O2S
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| Molecular Weight |
312.354
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| Canonical SMILES |
O=C(CCCOc1cccc(c1)C#N)Nc1ncc(s1)C#N
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| InChI |
InChI=1S/C15H12N4O2S/c16-8-11-3-1-4-12(7-11)21-6-2-5-14(20)19-15-18-10-13(9-17)22-15/h1,3-4,7,10H,2,5-6H2,(H,18,19,20)
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| InChIKey |
KUKOTSPZIMIZBQ-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