General Information of the Compound
| Compound ID |
CP0407530
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| Compound Name |
N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylprop-2-ynamide
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| Structure |
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| Formula |
C27H26N2O4S
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| Molecular Weight |
474.582
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)CCc2ccc(NC(=O)C#Cc3ccccc3)cc12
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| InChI |
InChI=1S/C27H26N2O4S/c1-2-19-8-14-23(15-9-19)34(32,33)29-27-24-18-22(13-11-21(24)12-16-25(27)30)28-26(31)17-10-20-6-4-3-5-7-20/h3-9,11,13-15,18,25,27,29-30H,2,12,16H2,1H3,(H,28,31)/t25-,27-/m1/s1
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| InChIKey |
XQZWRDMXZACZMB-XNMGPUDCSA-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