General Information of the Compound
| Compound ID |
CP0414819
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| Compound Name |
US8604061, 350
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| Structure |
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| Formula |
C11H14N2O2
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| Molecular Weight |
206.245
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| Canonical SMILES |
NC1=N[C@@H](COCc2ccccc2)CO1
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| InChI |
InChI=1S/C11H14N2O2/c12-11-13-10(8-15-11)7-14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,13)/t10-/m0/s1
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| InChIKey |
RKNBBACHUOTFHK-JTQLQIEISA-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