General Information of the Compound
| Compound ID |
CP0300058
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| Compound Name |
US9090625, 3
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| Structure |
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| Formula |
C18H16N4S
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| Molecular Weight |
320.421
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| Canonical SMILES |
CCc1cc(-c2cc3cnccc3s2)n(n1)-c1cccc(C)n1
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| InChI |
InChI=1S/C18H16N4S/c1-3-14-10-15(17-9-13-11-19-8-7-16(13)23-17)22(21-14)18-6-4-5-12(2)20-18/h4-11H,3H2,1-2H3
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| InChIKey |
MHHYZOIPYYNHIX-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