General Information of the Compound
| Compound ID |
CP0147894
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| Compound Name |
US8618286, 8
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| Structure |
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| Formula |
C16H20N4S2
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| Molecular Weight |
332.498
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| Canonical SMILES |
CNCCN1CCSc2cc(ccc12)N=C(N)c1cccs1
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| InChI |
InChI=1S/C16H20N4S2/c1-18-6-7-20-8-10-22-15-11-12(4-5-13(15)20)19-16(17)14-3-2-9-21-14/h2-5,9,11,18H,6-8,10H2,1H3,(H2,17,19)
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| InChIKey |
RCCUTHJBDBDXNI-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