General Information of the Compound
| Compound ID |
CP0425682
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| Compound Name |
(5-ethylpyrimidin-2-yl) 4-[4-[(2-fluoro-4-methylsulfonylanilino)methyl]pyrazol-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H27FN6O4S
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| Molecular Weight |
502.572
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| Canonical SMILES |
CCc1cnc(OC(=O)N2CCC(CC2)n2cc(CNc3ccc(cc3F)S(C)(=O)=O)cn2)nc1
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| InChI |
InChI=1S/C23H27FN6O4S/c1-3-16-11-26-22(27-12-16)34-23(31)29-8-6-18(7-9-29)30-15-17(14-28-30)13-25-21-5-4-19(10-20(21)24)35(2,32)33/h4-5,10-12,14-15,18,25H,3,6-9,13H2,1-2H3
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| InChIKey |
UIGMXUHDQDBMNZ-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