General Information of the Compound
| Compound ID |
CP0520393
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| Compound Name |
6-(3-(dimethylamino)phenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C21H19N3O2
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| Molecular Weight |
345.402
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| Canonical SMILES |
CN(C)c1cccc(c1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C
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| InChI |
InChI=1S/C21H19N3O2/c1-23(2)16-11-7-10-15(12-16)17-13-18-19(21(25)24(17)3)20(22-26-18)14-8-5-4-6-9-14/h4-13H,1-3H3
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| InChIKey |
IKUFYBIIBBPPDR-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