General Information of the Compound
| Compound ID |
CP0224483
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| Compound Name |
3-benzyl-4-(4'-(methylsulfonyl)biphenyl-3-yl)-8-(trifluoromethyl)quinoline
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| Structure |
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| Formula |
C30H22F3NO2S
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| Molecular Weight |
517.572
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
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| InChI |
InChI=1S/C30H22F3NO2S/c1-37(35,36)25-15-13-21(14-16-25)22-9-5-10-23(18-22)28-24(17-20-7-3-2-4-8-20)19-34-29-26(28)11-6-12-27(29)30(31,32)33/h2-16,18-19H,17H2,1H3
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| InChIKey |
NTXMYMGYFCGBAL-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