General Information of the Compound
| Compound ID |
CP0217082
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| Compound Name |
5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C19H14N2O2
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| Molecular Weight |
302.333
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| Canonical SMILES |
Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1
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| InChI |
InChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3
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| InChIKey |
LCNDUGHNYMJGIW-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