General Information of the Compound
| Compound ID |
CP0433412
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| Compound Name |
propan-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 |
C20H27FN4O4S
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| Molecular Weight |
438.525
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)n1cc(CNc2ccc(cc2F)S(C)(=O)=O)cn1
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| InChI |
InChI=1S/C20H27FN4O4S/c1-14(2)29-20(26)24-8-6-16(7-9-24)25-13-15(12-23-25)11-22-19-5-4-17(10-18(19)21)30(3,27)28/h4-5,10,12-14,16,22H,6-9,11H2,1-3H3
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| InChIKey |
XJVPRZSPEQOTEH-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