General Information of the Compound
| Compound ID |
CP0517167
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| Compound Name |
N-[[2-[4-(butylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl]-N-cyclopentyl-4-(trifluoromethoxy)benzenesulfonamide
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| Structure |
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| Formula |
C27H32F3N3O3S2
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| Molecular Weight |
567.699
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| Canonical SMILES |
CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cs1
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| InChI |
InChI=1S/C27H32F3N3O3S2/c1-2-3-16-31-17-20-8-10-21(11-9-20)26-32-22(19-37-26)18-33(23-6-4-5-7-23)38(34,35)25-14-12-24(13-15-25)36-27(28,29)30/h8-15,19,23,31H,2-7,16-18H2,1H3
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| InChIKey |
KUCOHCRXHSTSOZ-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