General Information of the Compound
| Compound ID |
CP0375459
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| Compound Name |
1-[6-(2-cyanoethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C17H16N2O2S
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| Molecular Weight |
312.394
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| Canonical SMILES |
OC(=O)C1(CCC1)Sc1ccnc2ccc(CCC#N)cc12
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| InChI |
InChI=1S/C17H16N2O2S/c18-9-1-3-12-4-5-14-13(11-12)15(6-10-19-14)22-17(16(20)21)7-2-8-17/h4-6,10-11H,1-3,7-8H2,(H,20,21)
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| InChIKey |
JKUYCINLQCCRRW-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