General Information of the Compound
| Compound ID |
CP0517164
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| Compound Name |
N-[[4-[4-(butylaminomethyl)phenyl]thiophen-2-yl]methyl]-N-cyclopentyl-4-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C28H36N2O3S2
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| Molecular Weight |
512.741
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| Canonical SMILES |
CCCCNCc1ccc(cc1)-c1csc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)cc2)c1
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| InChI |
InChI=1S/C28H36N2O3S2/c1-3-4-17-29-19-22-9-11-23(12-10-22)24-18-27(34-21-24)20-30(25-7-5-6-8-25)35(31,32)28-15-13-26(33-2)14-16-28/h9-16,18,21,25,29H,3-8,17,19-20H2,1-2H3
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| InChIKey |
ZPQAPQRWGBOGAD-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