General Information of the Compound
| Compound ID |
CP0108111
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| Compound Name |
US8618286, 12
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| Structure |
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| Formula |
C17H22N4S2
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| Molecular Weight |
346.525
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| Canonical SMILES |
CN(C)CCN1CCSc2cc(ccc12)N=C(N)c1cccs1
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| InChI |
InChI=1S/C17H22N4S2/c1-20(2)7-8-21-9-11-23-16-12-13(5-6-14(16)21)19-17(18)15-4-3-10-22-15/h3-6,10,12H,7-9,11H2,1-2H3,(H2,18,19)
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| InChIKey |
PMMNCRXDSHGJQU-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