General Information of the Compound
| Compound ID |
CP0439416
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-[(4-quinolin-3-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
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| Structure |
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| Formula |
C35H32N4O3S2
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| Molecular Weight |
620.8
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(cs3)-c3cnc4ccccc4c3)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C35H32N4O3S2/c40-34(27-6-2-1-3-7-27)23-36-19-18-25-10-14-30(15-11-25)39-44(41,42)31-16-12-26(13-17-31)20-35-38-33(24-43-35)29-21-28-8-4-5-9-32(28)37-22-29/h1-17,21-22,24,34,36,39-40H,18-20,23H2/t34-/m0/s1
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| InChIKey |
WOMSAMQUKONRNK-UMSFTDKQSA-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