General Information of the Compound
| Compound ID |
CP0375456
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| Compound Name |
1-(4-cyanonaphthalen-1-yl)sulfanylcyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C16H13NO2S
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| Molecular Weight |
283.352
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| Canonical SMILES |
OC(=O)C1(CCC1)Sc1ccc(C#N)c2ccccc12
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| InChI |
InChI=1S/C16H13NO2S/c17-10-11-6-7-14(13-5-2-1-4-12(11)13)20-16(15(18)19)8-3-9-16/h1-2,4-7H,3,8-9H2,(H,18,19)
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| InChIKey |
ZXLPEHDPHSNVTC-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