General Information of the Compound
| Compound ID |
CP0560556
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| Compound Name |
US8916553, 221
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| Structure |
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| Formula |
C18H23N3O3S
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| Molecular Weight |
361.467
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| Canonical SMILES |
COc1cc(NS(C)(=O)=O)ccc1-c1cncnc1C1CCCCC1
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| InChI |
InChI=1S/C18H23N3O3S/c1-24-17-10-14(21-25(2,22)23)8-9-15(17)16-11-19-12-20-18(16)13-6-4-3-5-7-13/h8-13,21H,3-7H2,1-2H3
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| InChIKey |
AFTRXYMELIZPCX-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