General Information of the Compound
| Compound ID |
CP0386125
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| Compound Name |
2-methylpropyl 4-[4-[(2-fluoro-4-methylsulfonylanilino)methyl]pyrazol-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C21H29FN4O4S
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| Molecular Weight |
452.552
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| Canonical SMILES |
CC(C)COC(=O)N1CCC(CC1)n1cc(CNc2ccc(cc2F)S(C)(=O)=O)cn1
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| InChI |
InChI=1S/C21H29FN4O4S/c1-15(2)14-30-21(27)25-8-6-17(7-9-25)26-13-16(12-24-26)11-23-20-5-4-18(10-19(20)22)31(3,28)29/h4-5,10,12-13,15,17,23H,6-9,11,14H2,1-3H3
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| InChIKey |
RMSLKDKIRXQRMO-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