General Information of the Compound
| Compound ID |
CP0490114
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| Compound Name |
US8772323, 113
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| Structure |
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| Formula |
C16H18N4O2S
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| Molecular Weight |
330.413
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| Canonical SMILES |
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)N1CCSCC1
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| InChI |
InChI=1S/C16H18N4O2S/c1-10-8-14(21)18-19-15(10)11-2-3-12-13(9-11)22-16(17-12)20-4-6-23-7-5-20/h2-3,9-10H,4-8H2,1H3,(H,18,21)
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| InChIKey |
VGLUISCAJXKZFS-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