General Information of the Compound
| Compound ID |
CP0415818
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| Compound Name |
1-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C22H26FN5O3S
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| Molecular Weight |
459.547
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| Canonical SMILES |
CC1(CCN(CC1)c1c(cnc2ccc(F)cc12)C(=O)N1CCN(CC1)S(C)(=O)=O)C#N
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| InChI |
InChI=1S/C22H26FN5O3S/c1-22(15-24)5-7-26(8-6-22)20-17-13-16(23)3-4-19(17)25-14-18(20)21(29)27-9-11-28(12-10-27)32(2,30)31/h3-4,13-14H,5-12H2,1-2H3
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| InChIKey |
SIGXVLVHXOJBCM-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