General Information of the Compound
| Compound ID |
CP0351412
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| Compound Name |
US9249087, 43
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| Structure |
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| Formula |
C11H11N3O2
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| Molecular Weight |
217.228
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| Canonical SMILES |
ONC(=O)c1ccc(Cn2cccn2)cc1
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| InChI |
InChI=1S/C11H11N3O2/c15-11(13-16)10-4-2-9(3-5-10)8-14-7-1-6-12-14/h1-7,16H,8H2,(H,13,15)
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| InChIKey |
DUGDSZFLAKVUEC-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