General Information of the Compound
| Compound ID |
CP0303775
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| Compound Name |
CHEMBL2113198
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| Formula |
C24H21ClN4O5S
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| Molecular Weight |
512.975
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| Canonical SMILES |
CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H21ClN4O5S/c1-2-34-18-11-13-19(14-12-18)35(32,33)29(17-9-7-16(25)8-10-17)15-22(30)27-28-23-20-5-3-4-6-21(20)26-24(23)31/h3-14H,2,15H2,1H3,(H,27,30)(H,26,28,31)
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| InChIKey |
AGFYOHRHWFUWBJ-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