General Information of the Compound
| Compound ID |
CP0532830
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| Compound Name |
1-[3-(4-cyclopropylsulfonylpiperazine-1-carbonyl)-6-fluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C24H28FN5O3S
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| Molecular Weight |
485.585
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| Canonical SMILES |
CC1(CCN(CC1)c1c(cnc2ccc(F)cc12)C(=O)N1CCN(CC1)S(=O)(=O)C1CC1)C#N
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| InChI |
InChI=1S/C24H28FN5O3S/c1-24(16-26)6-8-28(9-7-24)22-19-14-17(25)2-5-21(19)27-15-20(22)23(31)29-10-12-30(13-11-29)34(32,33)18-3-4-18/h2,5,14-15,18H,3-4,6-13H2,1H3
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| InChIKey |
IYDUYEXHPBORSN-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