General Information of the Compound
| Compound ID |
CP0504486
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| Compound Name |
3-(2-(pyridin-2-yl)-3aH-pyrrolo[3,4-d]oxazol-5(4H,6H,6aH)-yl)benzonitrile
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| Structure |
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| Formula |
C17H14N4O
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| Molecular Weight |
290.326
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| Canonical SMILES |
N#Cc1cccc(c1)N1CC2OC(=NC2C1)c1ccccn1
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| InChI |
InChI=1S/C17H14N4O/c18-9-12-4-3-5-13(8-12)21-10-15-16(11-21)22-17(20-15)14-6-1-2-7-19-14/h1-8,15-16H,10-11H2
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| InChIKey |
UDDKMAVCHONARO-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