General Information of the Compound
| Compound ID |
CP0440540
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| Compound Name |
US9139578, 18
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| Structure |
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| Formula |
C21H18N4O5S2
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| Molecular Weight |
470.532
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| Canonical SMILES |
OS(=O)(=O)Cc1nnc(o1)C(NC(=O)C1CC1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C21H18N4O5S2/c26-19(13-6-7-13)23-18(20-25-24-17(30-20)11-32(27,28)29)21-22-15-9-8-14(10-16(15)31-21)12-4-2-1-3-5-12/h1-5,8-10,13,18H,6-7,11H2,(H,23,26)(H,27,28,29)
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| InChIKey |
OGMACVQGDIHJKM-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