General Information of the Compound
| Compound ID |
CP0793909
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| Compound Name |
N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-6-hydroxy-nicotinamide
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| Structure |
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| Formula |
C22H21FN2O4S
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| Molecular Weight |
428.485
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| Canonical SMILES |
CS(=O)(=O)c1ccc(C(CCNC(=O)c2ccc(O)nc2)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C22H21FN2O4S/c1-30(28,29)19-9-4-16(5-10-19)20(15-2-7-18(23)8-3-15)12-13-24-22(27)17-6-11-21(26)25-14-17/h2-11,14,20H,12-13H2,1H3,(H,24,27)(H,25,26)
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| InChIKey |
MZFCKIHKZFJAOJ-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