General Information of the Compound
| Compound ID |
CP0538683
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| Compound Name |
4-[4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
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| Structure |
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| Formula |
C28H31FN6O3S
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| Molecular Weight |
550.66
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| Canonical SMILES |
CN(C)S(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccccc1
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| InChI |
InChI=1S/C28H31FN6O3S/c1-32(2)39(37,38)35-16-14-34(15-17-35)27(36)24-19-31-25-9-8-22(29)18-23(25)26(24)33-12-10-28(20-30,11-13-33)21-6-4-3-5-7-21/h3-9,18-19H,10-17H2,1-2H3
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| InChIKey |
IPRTVRBMOGEPMJ-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