General Information of the Compound
| Compound ID |
CP0107935
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| Compound Name |
US8618286, 1
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| Structure |
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| Formula |
C20H24N4O2S
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| Molecular Weight |
384.505
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| Canonical SMILES |
CN1CCCC1CCN1C(=O)COc2cc(ccc12)N=C(N)c1cccs1
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| InChI |
InChI=1S/C20H24N4O2S/c1-23-9-2-4-15(23)8-10-24-16-7-6-14(12-17(16)26-13-19(24)25)22-20(21)18-5-3-11-27-18/h3,5-7,11-12,15H,2,4,8-10,13H2,1H3,(H2,21,22)
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| InChIKey |
MFZCZNMFRYGETK-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