General Information of the Compound
| Compound ID |
CP0563619
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| Compound Name |
cyclopropyl-[4-[6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C23H28FN5O4S
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| Molecular Weight |
489.573
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)c1c(cnc2ccc(F)cc12)C(=O)N1CCN(CC1)C(=O)C1CC1
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| InChI |
InChI=1S/C23H28FN5O4S/c1-34(32,33)29-12-10-26(11-13-29)21-18-14-17(24)4-5-20(18)25-15-19(21)23(31)28-8-6-27(7-9-28)22(30)16-2-3-16/h4-5,14-16H,2-3,6-13H2,1H3
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| InChIKey |
GYROBEFCNYEQGH-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