General Information of the Compound
| Compound ID |
CP0542698
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| Compound Name |
1-[3-(4-ethylsulfonylpiperazine-1-carbonyl)-6-fluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C23H28FN5O3S
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| Molecular Weight |
473.574
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| Canonical SMILES |
CCS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(C)(CC1)C#N
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| InChI |
InChI=1S/C23H28FN5O3S/c1-3-33(31,32)29-12-10-28(11-13-29)22(30)19-15-26-20-5-4-17(24)14-18(20)21(19)27-8-6-23(2,16-25)7-9-27/h4-5,14-15H,3,6-13H2,1-2H3
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| InChIKey |
VXFVIHCJWHABIP-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