General Information of the Compound
| Compound ID |
CP0393452
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| Compound Name |
CHEMBL1254116
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| Formula |
C22H18N4O4S
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| Molecular Weight |
434.477
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| Canonical SMILES |
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=C1C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C22H18N4O4S/c27-20(24-25-21-18-13-7-8-14-19(18)23-22(21)28)15-26(16-9-3-1-4-10-16)31(29,30)17-11-5-2-6-12-17/h1-14H,15H2,(H,24,27)(H,23,25,28)
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| InChIKey |
OLFCWYACCCZZMH-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