General Information of the Compound
| Compound ID |
CP0456496
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| Compound Name |
1-quinolin-4-ylsulfanylcyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C14H13NO2S
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| Molecular Weight |
259.33
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| Canonical SMILES |
OC(=O)C1(CCC1)Sc1ccnc2ccccc12
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| InChI |
InChI=1S/C14H13NO2S/c16-13(17)14(7-3-8-14)18-12-6-9-15-11-5-2-1-4-10(11)12/h1-2,4-6,9H,3,7-8H2,(H,16,17)
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| InChIKey |
LTNYMWFDMCGLQP-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