General Information of the Compound
| Compound ID |
CP0479339
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| Compound Name |
US8772323, 24
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| Structure |
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| Formula |
C18H17N3O2S
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| Molecular Weight |
339.42
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| Canonical SMILES |
C[C@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccc(C)s1
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| InChI |
InChI=1S/C18H17N3O2S/c1-9-4-7-15(24-9)18-19-13-6-5-12(8-14(13)23-18)16-10(2)11(3)17(22)21-20-16/h4-8,10-11H,1-3H3,(H,21,22)/t10-,11+/m1/s1
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| InChIKey |
BYEKVOTULXCWBB-MNOVXSKESA-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