General Information of the Compound
| Compound ID |
CP0308201
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| Compound Name |
4-(3'-(methylsulfonyl)biphenyl-3-yl)-3-propyl-8-(trifluoromethyl)quinoline
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| Structure |
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| Formula |
C26H22F3NO2S
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| Molecular Weight |
469.528
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| Canonical SMILES |
CCCc1cnc2c(cccc2c1-c1cccc(c1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C26H22F3NO2S/c1-3-7-20-16-30-25-22(12-6-13-23(25)26(27,28)29)24(20)19-10-4-8-17(14-19)18-9-5-11-21(15-18)33(2,31)32/h4-6,8-16H,3,7H2,1-2H3
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| InChIKey |
DPAWQSUVLANLRD-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