General Information of the Compound
| Compound ID |
CP0401271
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| Compound Name |
4-[[4-(3,4-difluorophenyl)-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 |
C32H29F2N3O3S2
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| Molecular Weight |
605.732
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(cs3)-c3ccc(F)c(F)c3)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C32H29F2N3O3S2/c33-28-15-10-25(19-29(28)34)30-21-41-32(36-30)18-23-8-13-27(14-9-23)42(39,40)37-26-11-6-22(7-12-26)16-17-35-20-31(38)24-4-2-1-3-5-24/h1-15,19,21,31,35,37-38H,16-18,20H2/t31-/m0/s1
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| InChIKey |
ZEVDNNXLGPCLBE-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