General Information of the Compound
| Compound ID |
CP0392099
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
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| Structure |
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| Formula |
C36H33N3O3S2
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| Molecular Weight |
619.812
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(cs3)-c3ccc4ccccc4c3)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C36H33N3O3S2/c40-35(29-7-2-1-3-8-29)24-37-21-20-26-10-16-32(17-11-26)39-44(41,42)33-18-12-27(13-19-33)22-36-38-34(25-43-36)31-15-14-28-6-4-5-9-30(28)23-31/h1-19,23,25,35,37,39-40H,20-22,24H2/t35-/m0/s1
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| InChIKey |
DVGGLOFQUXYFOW-DHUJRADRSA-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