General Information of the Compound
| Compound ID |
CP0472140
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| Compound Name |
N-[(7R,8R)-7-hydroxy-8-[(4-propan-2-ylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-methoxybenzamide
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| Structure |
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| Formula |
C27H30N2O5S
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| Molecular Weight |
494.613
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1ccc2CC[C@@H](O)[C@H](NS(=O)(=O)c3ccc(cc3)C(C)C)c2c1
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| InChI |
InChI=1S/C27H30N2O5S/c1-17(2)18-8-12-23(13-9-18)35(32,33)29-26-24-16-21(11-7-19(24)10-14-25(26)30)28-27(31)20-5-4-6-22(15-20)34-3/h4-9,11-13,15-17,25-26,29-30H,10,14H2,1-3H3,(H,28,31)/t25-,26-/m1/s1
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| InChIKey |
YSJNEZAOPRPMAD-CLJLJLNGSA-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