General Information of the Compound
| Compound ID |
CP0472143
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| Compound Name |
3-chloro-N-((7R,8R)-8-(4-ethylphenylsulfonamido)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
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| Structure |
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| Formula |
C25H25ClN2O4S
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| Molecular Weight |
485.005
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)CCc2ccc(NC(=O)c3cccc(Cl)c3)cc12
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| InChI |
InChI=1S/C25H25ClN2O4S/c1-2-16-6-11-21(12-7-16)33(31,32)28-24-22-15-20(10-8-17(22)9-13-23(24)29)27-25(30)18-4-3-5-19(26)14-18/h3-8,10-12,14-15,23-24,28-29H,2,9,13H2,1H3,(H,27,30)/t23-,24-/m1/s1
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| InChIKey |
TUJKWXNODHPYIC-DNQXCXABSA-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