General Information of the Compound
| Compound ID |
CP0508999
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| Compound Name |
US8916553, 172
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| Structure |
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| Formula |
C18H16ClN3O3S
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| Molecular Weight |
389.864
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| Canonical SMILES |
COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cncnc1C
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| InChI |
InChI=1S/C18H16ClN3O3S/c1-12-17(10-20-11-21-12)16-8-5-14(9-18(16)25-2)22-26(23,24)15-6-3-13(19)4-7-15/h3-11,22H,1-2H3
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| InChIKey |
OJJWXFGMXRKDSM-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