General Information of the Compound
| Compound ID |
CP0473575
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| Compound Name |
US9067922, 98
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| Structure |
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| Formula |
C18H10ClN5O3S
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| Molecular Weight |
411.83
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| Canonical SMILES |
Clc1cc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2cccnn2)ccc1C#N
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| InChI |
InChI=1S/C18H10ClN5O3S/c19-16-9-14(4-3-12(16)10-20)27-17-6-5-15(8-13(17)11-21)28(25,26)24-18-2-1-7-22-23-18/h1-9H,(H,23,24)
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| InChIKey |
CGPJDFIKVUZZGB-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