General Information of the Compound
| Compound ID |
CP0472111
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| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-2-pyridin-4-ylacetamide
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| Structure |
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| Formula |
C28H30ClN3O4S
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| Molecular Weight |
540.085
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1ccncc1
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| InChI |
InChI=1S/C28H30ClN3O4S/c1-3-14-31-37(34,35)26-8-5-22(6-9-26)13-17-32(28(33)19-23-11-15-30-16-12-23)21-24-20-25(29)7-10-27(24)36-18-4-2/h1,5-12,15-16,20,31H,4,13-14,17-19,21H2,2H3
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| InChIKey |
CZBGORNBMHIXKZ-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