General Information of the Compound
| Compound ID |
CP0364612
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| Compound Name |
1-[1-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidin-4-yl]ethanone
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| Structure |
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| Formula |
C28H31FN4O4S
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| Molecular Weight |
538.645
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| Canonical SMILES |
CC(=O)C1(CCN(CC1)c1c(cnc2ccc(F)cc12)C(=O)N1CCN(CC1)S(C)(=O)=O)c1ccccc1
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| InChI |
InChI=1S/C28H31FN4O4S/c1-20(34)28(21-6-4-3-5-7-21)10-12-31(13-11-28)26-23-18-22(29)8-9-25(23)30-19-24(26)27(35)32-14-16-33(17-15-32)38(2,36)37/h3-9,18-19H,10-17H2,1-2H3
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| InChIKey |
QKLGTXPKMMTLTA-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