General Information of the Compound
| Compound ID |
CP0574811
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| Compound Name |
US8969586, 94
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| Structure |
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| Formula |
C16H11N3S2
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| Molecular Weight |
309.419
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| Canonical SMILES |
Cc1ccncc1-c1ccnc2c(csc12)-c1nccs1
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| InChI |
InChI=1S/C16H11N3S2/c1-10-2-4-17-8-12(10)11-3-5-18-14-13(9-21-15(11)14)16-19-6-7-20-16/h2-9H,1H3
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| InChIKey |
IYDNDVUHNURBAN-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