General Information of the Compound
| Compound ID |
CP0375457
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| Compound Name |
1-(7-bromoquinolin-4-yl)sulfanylcyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C14H12BrNO2S
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| Molecular Weight |
338.226
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| Canonical SMILES |
OC(=O)C1(CCC1)Sc1ccnc2cc(Br)ccc12
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| InChI |
InChI=1S/C14H12BrNO2S/c15-9-2-3-10-11(8-9)16-7-4-12(10)19-14(13(17)18)5-1-6-14/h2-4,7-8H,1,5-6H2,(H,17,18)
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| InChIKey |
KMVVYVGPRHWVSR-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