General Information of the Compound
| Compound ID |
CP0078222
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| Compound Name |
2-[3-(Naphthalen-2-ylsulfanyl)-cyclohex-1-enylethynyl]-pyridine
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| Structure |
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| Formula |
C23H19NS
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| Molecular Weight |
341.479
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| Canonical SMILES |
C1CC(Sc2ccc3ccccc3c2)C=C(C1)C#Cc1ccccn1
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| InChI |
InChI=1S/C23H19NS/c1-2-8-20-17-23(14-12-19(20)7-1)25-22-10-5-6-18(16-22)11-13-21-9-3-4-15-24-21/h1-4,7-9,12,14-17,22H,5-6,10H2
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| InChIKey |
TYYBKQGONXRWMK-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