General Information of the Compound
| Compound ID |
CP0106016
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| Compound Name |
N-[(7R,8R)-8-[(4-butylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-3-methoxybenzamide
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| Structure |
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| Formula |
C28H32N2O5S
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| Molecular Weight |
508.64
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| Canonical SMILES |
CCCCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)CCc2ccc(NC(=O)c3cccc(OC)c3)cc12
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| InChI |
InChI=1S/C28H32N2O5S/c1-3-4-6-19-9-14-24(15-10-19)36(33,34)30-27-25-18-22(13-11-20(25)12-16-26(27)31)29-28(32)21-7-5-8-23(17-21)35-2/h5,7-11,13-15,17-18,26-27,30-31H,3-4,6,12,16H2,1-2H3,(H,29,32)/t26-,27-/m1/s1
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| InChIKey |
MSRRYBQJYUJDTE-KAYWLYCHSA-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