General Information of the Compound
| Compound ID |
CP0526687
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| Compound Name |
4-ethyl-N-((3S,4R)-3-hydroxy-2,2-dimethyl-6-((phenethylamino)methyl)chroman-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C28H34N2O4S
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| Molecular Weight |
494.657
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)C(C)(C)Oc2ccc(CNCCc3ccccc3)cc12
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| InChI |
InChI=1S/C28H34N2O4S/c1-4-20-10-13-23(14-11-20)35(32,33)30-26-24-18-22(12-15-25(24)34-28(2,3)27(26)31)19-29-17-16-21-8-6-5-7-9-21/h5-15,18,26-27,29-31H,4,16-17,19H2,1-3H3/t26-,27+/m1/s1
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| InChIKey |
RRFYNWHHWWURDL-SXOMAYOGSA-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