General Information of the Compound
| Compound ID |
CP0523427
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| Compound Name |
N-[[2-[4-(butylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl]-N-cyclopentyl-4-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C26H32FN3O2S2
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| Molecular Weight |
501.693
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| Canonical SMILES |
CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(F)cc2)cs1
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| InChI |
InChI=1S/C26H32FN3O2S2/c1-2-3-16-28-17-20-8-10-21(11-9-20)26-29-23(19-33-26)18-30(24-6-4-5-7-24)34(31,32)25-14-12-22(27)13-15-25/h8-15,19,24,28H,2-7,16-18H2,1H3
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| InChIKey |
UMTVURUICSFHRQ-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