General Information of the Compound
| Compound ID |
CP0463105
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| Compound Name |
1-[6-(methoxymethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C16H17NO3S
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| Molecular Weight |
303.383
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| Canonical SMILES |
COCc1ccc2nccc(SC3(CCC3)C(O)=O)c2c1
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| InChI |
InChI=1S/C16H17NO3S/c1-20-10-11-3-4-13-12(9-11)14(5-8-17-13)21-16(15(18)19)6-2-7-16/h3-5,8-9H,2,6-7,10H2,1H3,(H,18,19)
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| InChIKey |
UIWLHZJJYBOJOU-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