General Information of the Compound
| Compound ID |
CP0527068
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| Compound Name |
N-[[2-[4-(butylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl]-N-cyclopentylbenzenesulfonamide
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| Structure |
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| Formula |
C26H33N3O2S2
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| Molecular Weight |
483.703
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| Canonical SMILES |
CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccccc2)cs1
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| InChI |
InChI=1S/C26H33N3O2S2/c1-2-3-17-27-18-21-13-15-22(16-14-21)26-28-23(20-32-26)19-29(24-9-7-8-10-24)33(30,31)25-11-5-4-6-12-25/h4-6,11-16,20,24,27H,2-3,7-10,17-19H2,1H3
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| InChIKey |
WRRJXQBXPZXNEL-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