General Information of the Compound
| Compound ID |
CP0548276
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| Compound Name |
4-[2-(2,5-difluorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-7-(4-methylsulfonylphenyl)quinoline
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| Formula |
C28H18F2N4O2S
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| Molecular Weight |
512.541
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(ccnc2c1)-n1ccc2cnc(nc12)-c1cc(F)ccc1F
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| InChI |
InChI=1S/C28H18F2N4O2S/c1-37(35,36)21-6-2-17(3-7-21)18-4-8-22-25(14-18)31-12-10-26(22)34-13-11-19-16-32-27(33-28(19)34)23-15-20(29)5-9-24(23)30/h2-16H,1H3
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| InChIKey |
AKOPAPJGZCKALV-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