General Information of the Compound
| Compound ID |
CP0538834
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| Compound Name |
N-[[2-[4-(butylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl]-N-cyclopentyl-3,4-dimethoxybenzenesulfonamide
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| Structure |
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| Formula |
C28H37N3O4S2
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| Molecular Weight |
543.755
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| Canonical SMILES |
CCCCNCc1ccc(cc1)-c1nc(CN(C2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cs1
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| InChI |
InChI=1S/C28H37N3O4S2/c1-4-5-16-29-18-21-10-12-22(13-11-21)28-30-23(20-36-28)19-31(24-8-6-7-9-24)37(32,33)25-14-15-26(34-2)27(17-25)35-3/h10-15,17,20,24,29H,4-9,16,18-19H2,1-3H3
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| InChIKey |
YXZROCSVGRUEGS-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