General Information of the Compound
| Compound ID |
CP0543120
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| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-(4-prop-2-ynylsulfonylphenyl)ethyl]-2-thiophen-3-ylacetamide
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| Structure |
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| Formula |
C27H28ClNO4S2
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| Molecular Weight |
530.111
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)CC#C)C(=O)Cc1ccsc1
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| InChI |
InChI=1S/C27H28ClNO4S2/c1-3-14-33-26-10-7-24(28)18-23(26)19-29(27(30)17-22-12-15-34-20-22)13-11-21-5-8-25(9-6-21)35(31,32)16-4-2/h2,5-10,12,15,18,20H,3,11,13-14,16-17,19H2,1H3
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| InChIKey |
GGDNPZOKUAOWJP-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