General Information of the Compound
| Compound ID |
CP0538447
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| Compound Name |
1-(6-bromoquinolin-4-yl)sulfanylcyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C15H14BrNO2S
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| Molecular Weight |
352.253
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| Canonical SMILES |
OC(=O)C1(CCCC1)Sc1ccnc2ccc(Br)cc12
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| InChI |
InChI=1S/C15H14BrNO2S/c16-10-3-4-12-11(9-10)13(5-8-17-12)20-15(14(18)19)6-1-2-7-15/h3-5,8-9H,1-2,6-7H2,(H,18,19)
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| InChIKey |
GGHJJKMZKBPJRM-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