General Information of the Compound
| Compound ID |
CP0321565
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| Compound Name |
CHEMBL2113202
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| Formula |
C23H20ClN5O5S
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| Molecular Weight |
513.963
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| Canonical SMILES |
CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccncc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H20ClN5O5S/c1-2-34-17-7-9-18(10-8-17)35(32,33)29(16-5-3-15(24)4-6-16)14-21(30)27-28-22-19-13-25-12-11-20(19)26-23(22)31/h3-13H,2,14H2,1H3,(H,27,30)(H,26,28,31)
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| InChIKey |
DWBXKUWLRDJMQF-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