General Information of the Compound
| Compound ID |
CP0477990
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| Compound Name |
[4-(4,4-dimethylcyclohexen-1-yl)-6-fluoroquinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C23H28FN3O3S
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| Molecular Weight |
445.56
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| Canonical SMILES |
CC1(C)CCC(=CC1)c1c(cnc2ccc(F)cc12)C(=O)N1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H28FN3O3S/c1-23(2)8-6-16(7-9-23)21-18-14-17(24)4-5-20(18)25-15-19(21)22(28)26-10-12-27(13-11-26)31(3,29)30/h4-6,14-15H,7-13H2,1-3H3
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| InChIKey |
ACSXYVBEJQOTGI-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