General Information of the Compound
| Compound ID |
CP0438097
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| Compound Name |
US9862730, Example 103
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| Structure |
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| Formula |
C15H13N3O4S
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| Molecular Weight |
331.353
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OC)ccc(OC)c2o1
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| InChI |
InChI=1S/C15H13N3O4S/c1-19-10-4-5-11(20-2)13-8(10)6-12(22-13)9-7-18-14(16-9)23-15(17-18)21-3/h4-7H,1-3H3
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| InChIKey |
NQUGUJFIXXERQU-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