General Information of the Compound
| Compound ID |
CP0573782
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| Compound Name |
US9862730, Example 151
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| Structure |
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| Formula |
C19H13ClN4O2S2
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| Molecular Weight |
428.926
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| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1nc2ccc(OCc3ccccc3Cl)cc2o1
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| InChI |
InChI=1S/C19H13ClN4O2S2/c1-27-19-23-24-9-15(22-18(24)28-19)17-21-14-7-6-12(8-16(14)26-17)25-10-11-4-2-3-5-13(11)20/h2-9H,10H2,1H3
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| InChIKey |
ORJPHNHQKVOHQR-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