General Information of the Compound
| Compound ID |
CP0199987
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| Compound Name |
US8604061, 82 (S,R)
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| Structure |
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| Formula |
C12H16N2O
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| Molecular Weight |
204.273
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| Canonical SMILES |
C[C@H](C[C@H]1COC(N)=N1)c1ccccc1
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| InChI |
InChI=1S/C12H16N2O/c1-9(10-5-3-2-4-6-10)7-11-8-15-12(13)14-11/h2-6,9,11H,7-8H2,1H3,(H2,13,14)/t9-,11+/m1/s1
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| InChIKey |
AGHKCLYLZRRYHN-KOLCDFICSA-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