General Information of the Compound
| Compound ID |
CP0479344
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| Compound Name |
US8772323, 187
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| Structure |
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| Formula |
C19H19N3O2S
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| Molecular Weight |
353.447
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| Canonical SMILES |
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccsc1
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| InChI |
InChI=1S/C19H19N3O2S/c1-3-4-14-11(2)17(21-22-18(14)23)12-5-6-15-16(9-12)24-19(20-15)13-7-8-25-10-13/h5-11,14H,3-4H2,1-2H3,(H,22,23)/t11-,14-/m1/s1
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| InChIKey |
OAFGQUBRBHVDOG-BXUZGUMPSA-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