General Information of the Compound
| Compound ID |
CP0429565
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| Compound Name |
4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
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| Structure |
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| Formula |
C23H29FN6O3S
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| Molecular Weight |
488.589
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| Canonical SMILES |
CN(C)S(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(C)(CC1)C#N
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| InChI |
InChI=1S/C23H29FN6O3S/c1-23(16-25)6-8-28(9-7-23)21-18-14-17(24)4-5-20(18)26-15-19(21)22(31)29-10-12-30(13-11-29)34(32,33)27(2)3/h4-5,14-15H,6-13H2,1-3H3
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| InChIKey |
HEEPOUMUEMIEIF-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