General Information of the Compound
| Compound ID |
CP0369570
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| Compound Name |
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trimethoxy-5-[(2-propan-2-ylphenyl)methyl]benzamide
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| Structure |
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| Formula |
C36H41NO6S
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| Molecular Weight |
615.792
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| Canonical SMILES |
COc1c(Cc2ccccc2C(C)C)cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(OC)c1OC
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| InChI |
InChI=1S/C36H41NO6S/c1-23(2)28-14-10-9-13-24(28)21-25-22-29(33(42-7)34(43-8)32(25)41-6)35(38)37-26-17-19-27(20-18-26)44(39,40)31-16-12-11-15-30(31)36(3,4)5/h9-20,22-23H,21H2,1-8H3,(H,37,38)
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| InChIKey |
PYRLGOIPDCITMO-UHFFFAOYSA-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