General Information of the Compound
| Compound ID |
CP0498169
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| Compound Name |
4-[[4-[(4-fluorophenyl)methyl]-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 |
C33H32FN3O3S2
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| Molecular Weight |
601.769
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(Cc4ccc(F)cc4)cs3)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C33H32FN3O3S2/c34-28-12-6-25(7-13-28)20-30-23-41-33(36-30)21-26-10-16-31(17-11-26)42(39,40)37-29-14-8-24(9-15-29)18-19-35-22-32(38)27-4-2-1-3-5-27/h1-17,23,32,35,37-38H,18-22H2/t32-/m0/s1
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| InChIKey |
CPGYVAKLGMDWEA-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