General Information of the Compound
| Compound ID |
CP0115367
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| Compound Name |
1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopentane-1-carbonitrile
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| Structure |
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| Formula |
C27H27FN4O3S
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| Molecular Weight |
506.603
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1-c1ccc(cc1)C1(CCCC1)C#N
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| InChI |
InChI=1S/C27H27FN4O3S/c1-36(34,35)32-14-12-31(13-15-32)26(33)23-17-30-24-9-8-21(28)16-22(24)25(23)19-4-6-20(7-5-19)27(18-29)10-2-3-11-27/h4-9,16-17H,2-3,10-15H2,1H3
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| InChIKey |
VLPQTHOTYCYTEA-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