General Information of the Compound
| Compound ID |
CP0199189
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| Compound Name |
1-[3-(3,3-dimethyl-4-methylsulfonylpiperazine-1-carbonyl)-6-fluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
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| Structure |
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| Formula |
C24H30FN5O3S
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| Molecular Weight |
487.601
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| Canonical SMILES |
CC1(C)CN(CCN1S(C)(=O)=O)C(=O)c1cnc2ccc(F)cc2c1N1CCC(C)(CC1)C#N
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| InChI |
InChI=1S/C24H30FN5O3S/c1-23(2)16-29(11-12-30(23)34(4,32)33)22(31)19-14-27-20-6-5-17(25)13-18(20)21(19)28-9-7-24(3,15-26)8-10-28/h5-6,13-14H,7-12,16H2,1-4H3
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| InChIKey |
RGJCAMFUXJFCCL-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