General Information of the Compound
| Compound ID |
CP0498676
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| Compound Name |
5-methyl-6-phenyl-3-(pyridin-3-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C18H13N3O2
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| Molecular Weight |
303.321
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| Canonical SMILES |
Cn1c(cc2onc(-c3cccnc3)c2c1=O)-c1ccccc1
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| InChI |
InChI=1S/C18H13N3O2/c1-21-14(12-6-3-2-4-7-12)10-15-16(18(21)22)17(20-23-15)13-8-5-9-19-11-13/h2-11H,1H3
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| InChIKey |
BJYLAOMUPXSMMJ-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