General Information of the Compound
| Compound ID |
CP0852426
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| Compound Name |
N-[2-[[(2R)-3-(2-benzoylphenoxy)-2-hydroxypropyl]-methylamino]ethyl]-5-(dimethylamino)-N-methylnaphthalene-1-sulfonamide
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| Structure |
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| Formula |
C32H37N3O5S
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| Molecular Weight |
575.731
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| Canonical SMILES |
CN(CCN(C)S(=O)(=O)c1cccc2c(N(C)C)cccc12)C[C@@H](O)COc1ccccc1C(=O)c1ccccc1
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| InChI |
InChI=1S/C32H37N3O5S/c1-33(2)29-17-10-16-27-26(29)15-11-19-31(27)41(38,39)35(4)21-20-34(3)22-25(36)23-40-30-18-9-8-14-28(30)32(37)24-12-6-5-7-13-24/h5-19,25,36H,20-23H2,1-4H3/t25-/m1/s1
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| InChIKey |
PVDAZJZRXAGDLU-RUZDIDTESA-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