General Information of the Compound
| Compound ID |
CP0429561
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| Compound Name |
2-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]-2-methylpropanenitrile
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| Structure |
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| Formula |
C25H25FN4O3S
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| Molecular Weight |
480.565
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| Canonical SMILES |
CC(C)(C#N)c1ccc(cc1)-c1c(cnc2ccc(F)cc12)C(=O)N1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H25FN4O3S/c1-25(2,16-27)18-6-4-17(5-7-18)23-20-14-19(26)8-9-22(20)28-15-21(23)24(31)29-10-12-30(13-11-29)34(3,32)33/h4-9,14-15H,10-13H2,1-3H3
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| InChIKey |
IFKUKAGVXCPLLG-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