General Information of the Compound
| Compound ID |
CP0407499
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| Compound Name |
US9862730, Example 53
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| Structure |
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| Formula |
C16H12N4O2S
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| Molecular Weight |
324.365
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| Canonical SMILES |
CCc1nn2cc(nc2s1)-c1cc2cccc(OCC#N)c2o1
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| InChI |
InChI=1S/C16H12N4O2S/c1-2-14-19-20-9-11(18-16(20)23-14)13-8-10-4-3-5-12(15(10)22-13)21-7-6-17/h3-5,8-9H,2,7H2,1H3
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| InChIKey |
MXCWEESLTXBUDU-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