General Information of the Compound
| Compound ID |
CP0510508
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| Compound Name |
4-fluoro-N-(3-methoxypropyl)-N-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C28H34FN3O3S
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| Molecular Weight |
511.663
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| Canonical SMILES |
COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H34FN3O3S/c1-35-20-4-17-32(36(33,34)27-13-11-26(29)12-14-27)22-25-5-2-3-6-28(25)24-9-7-23(8-10-24)21-31-18-15-30-16-19-31/h2-3,5-14,30H,4,15-22H2,1H3
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| InChIKey |
YTBXTOMFDAEXEA-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