General Information of the Compound
| Compound ID |
CP0553818
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| Compound Name |
US8889668, I48
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| Structure |
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| Formula |
C21H18N2O3S
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| Molecular Weight |
378.453
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| Canonical SMILES |
COc1ccccc1-c1noc(n1)-c1ccc(-c2cscc2C)c(OC)c1
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| InChI |
InChI=1S/C21H18N2O3S/c1-13-11-27-12-17(13)15-9-8-14(10-19(15)25-3)21-22-20(23-26-21)16-6-4-5-7-18(16)24-2/h4-12H,1-3H3
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| InChIKey |
HUTYLAHXIZDFAW-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