General Information of the Compound
| Compound ID |
CP0097141
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| Compound Name |
N-[5-[(1R)-2-[[1-(4-butoxyphenyl)sulfonylazetidin-3-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C22H31N3O7S2
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| Molecular Weight |
513.638
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| Canonical SMILES |
CCCCOc1ccc(cc1)S(=O)(=O)N1CC(C1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C22H31N3O7S2/c1-3-4-11-32-18-6-8-19(9-7-18)34(30,31)25-14-17(15-25)23-13-22(27)16-5-10-21(26)20(12-16)24-33(2,28)29/h5-10,12,17,22-24,26-27H,3-4,11,13-15H2,1-2H3/t22-/m0/s1
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| InChIKey |
OFVSLLMGVJGWPD-QFIPXVFZSA-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