General Information of the Compound
| Compound ID |
CP0493222
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| Compound Name |
4-[[4-(4-tert-butylphenyl)-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 |
C36H39N3O3S2
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| Molecular Weight |
625.86
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1csc(Cc2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)n1
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| InChI |
InChI=1S/C36H39N3O3S2/c1-36(2,3)30-15-13-28(14-16-30)33-25-43-35(38-33)23-27-11-19-32(20-12-27)44(41,42)39-31-17-9-26(10-18-31)21-22-37-24-34(40)29-7-5-4-6-8-29/h4-20,25,34,37,39-40H,21-24H2,1-3H3/t34-/m0/s1
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| InChIKey |
XHUPGYIZWYDWDS-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