General Information of the Compound
| Compound ID |
CP0538680
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| Compound Name |
1-[4-[6,8-difluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrile
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| Structure |
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| Formula |
C25H22F2N4O3S
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| Molecular Weight |
496.539
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2c(F)cc(F)cc2c1-c1ccc(cc1)C1(CC1)C#N
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| InChI |
InChI=1S/C25H22F2N4O3S/c1-35(33,34)31-10-8-30(9-11-31)24(32)20-14-29-23-19(12-18(26)13-21(23)27)22(20)16-2-4-17(5-3-16)25(15-28)6-7-25/h2-5,12-14H,6-11H2,1H3
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| InChIKey |
XWWGQKZEWGNOAE-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