General Information of the Compound
| Compound ID |
CP0547300
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| Compound Name |
4-(4-chlorophenyl)-1-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]piperidine-4-carbonitrile
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| Structure |
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| Formula |
C27H27ClFN5O3S
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| Molecular Weight |
556.063
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H27ClFN5O3S/c1-38(36,37)34-14-12-33(13-15-34)26(35)23-17-31-24-7-6-21(29)16-22(24)25(23)32-10-8-27(18-30,9-11-32)19-2-4-20(28)5-3-19/h2-7,16-17H,8-15H2,1H3
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| InChIKey |
HVCDPLXZORWNLR-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