General Information of the Compound
| Compound ID |
CP0504829
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| Compound Name |
1-(benzenesulfonyl)-3-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]urea
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| Structure |
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| Formula |
C23H24FN3O3S
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| Molecular Weight |
441.528
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| Canonical SMILES |
Fc1ccc2cc(CN3CCC(CC3)NC(=O)NS(=O)(=O)c3ccccc3)ccc2c1
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| InChI |
InChI=1S/C23H24FN3O3S/c24-20-9-8-18-14-17(6-7-19(18)15-20)16-27-12-10-21(11-13-27)25-23(28)26-31(29,30)22-4-2-1-3-5-22/h1-9,14-15,21H,10-13,16H2,(H2,25,26,28)
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| InChIKey |
SFPGIRFFPMPQLC-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