General Information of the Compound
| Compound ID |
CP0436006
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C32H31N3O4S2
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| Molecular Weight |
585.751
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(cs3)-c3ccc(O)cc3)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C32H31N3O4S2/c36-28-14-10-25(11-15-28)30-22-40-32(34-30)20-24-8-16-29(17-9-24)41(38,39)35-27-12-6-23(7-13-27)18-19-33-21-31(37)26-4-2-1-3-5-26/h1-17,22,31,33,35-37H,18-21H2/t31-/m0/s1
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| InChIKey |
RKKWLOOKZFPDMB-HKBQPEDESA-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