General Information of the Compound
| Compound ID |
CP0493340
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| Compound Name |
4-(4-Chloro-3-fluorobenzyl)-1-((3-cyclopropyl-5-methyl-1H-pyrazol-4-yl) sulfonyl)piperidine
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| Structure |
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| Formula |
C19H23ClFN3O2S
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| Molecular Weight |
411.93
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| Canonical SMILES |
Cc1[nH]nc(C2CC2)c1S(=O)(=O)N1CCC(Cc2ccc(Cl)c(F)c2)CC1
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| InChI |
InChI=1S/C19H23ClFN3O2S/c1-12-19(18(23-22-12)15-3-4-15)27(25,26)24-8-6-13(7-9-24)10-14-2-5-16(20)17(21)11-14/h2,5,11,13,15H,3-4,6-10H2,1H3,(H,22,23)
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| InChIKey |
AYMIBMGURKMJHT-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