General Information of the Compound
| Compound ID |
CP0439415
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| Compound Name |
4-[[4-(2-cyclopentylethyl)-1,3-thiazol-2-yl]methyl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C33H39N3O3S2
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| Molecular Weight |
589.827
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(CCC4CCCC4)cs3)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C33H39N3O3S2/c37-32(28-8-2-1-3-9-28)23-34-21-20-26-10-15-29(16-11-26)36-41(38,39)31-18-13-27(14-19-31)22-33-35-30(24-40-33)17-12-25-6-4-5-7-25/h1-3,8-11,13-16,18-19,24-25,32,34,36-37H,4-7,12,17,20-23H2/t32-/m0/s1
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| InChIKey |
RSMZYDHCSCEXJF-YTTGMZPUSA-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