General Information of the Compound
| Compound ID |
CP0399683
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| Compound Name |
3-(2-pyridin-3-ylethynyl)-4H-imidazo[5,1-c][1,4]benzoxazine
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| Structure |
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| Formula |
C17H11N3O
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| Molecular Weight |
273.295
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| Canonical SMILES |
C1Oc2ccccc2-n2cnc(C#Cc3cccnc3)c12
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| InChI |
InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2
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| InChIKey |
AEPFXRGRJZMVIF-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