General Information of the Compound
| Compound ID |
CP0578669
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| Compound Name |
N-(1,3-benzodioxol-4-ylmethyl)-4-fluoro-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]benzamide
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| Structure |
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| Formula |
C26H23FN2O5S
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| Molecular Weight |
494.544
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N(CCc1ccc(cc1)S(=O)(=O)NCC#C)Cc1cccc2OCOc12
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| InChI |
InChI=1S/C26H23FN2O5S/c1-2-15-28-35(31,32)23-12-6-19(7-13-23)14-16-29(26(30)20-8-10-22(27)11-9-20)17-21-4-3-5-24-25(21)34-18-33-24/h1,3-13,28H,14-18H2
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| InChIKey |
VUNPDDGSCYSUFB-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