General Information of the Compound
| Compound ID |
CP0505688
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
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| Structure |
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| Formula |
C31H30N4O3S2
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| Molecular Weight |
570.74
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(cs3)-c3ccccn3)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C31H30N4O3S2/c36-30(25-6-2-1-3-7-25)21-32-19-17-23-9-13-26(14-10-23)35-40(37,38)27-15-11-24(12-16-27)20-31-34-29(22-39-31)28-8-4-5-18-33-28/h1-16,18,22,30,32,35-36H,17,19-21H2/t30-/m0/s1
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| InChIKey |
QPKZOOOOAYTKND-PMERELPUSA-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