General Information of the Compound
| Compound ID |
CP0364613
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| Compound Name |
4-benzyl-1-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperidine-4-carbonitrile
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| Structure |
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| Formula |
C28H30FN5O3S
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| Molecular Weight |
535.645
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(Cc2ccccc2)(CC1)C#N
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| InChI |
InChI=1S/C28H30FN5O3S/c1-38(36,37)34-15-13-33(14-16-34)27(35)24-19-31-25-8-7-22(29)17-23(25)26(24)32-11-9-28(20-30,10-12-32)18-21-5-3-2-4-6-21/h2-8,17,19H,9-16,18H2,1H3
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| InChIKey |
FMFZAZUSFZNQCZ-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