General Information of the Compound
| Compound ID |
CP0939845
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| Compound Name |
2-(2-hydroxyethylamino)-3-methylnaphthalene-1,4-dione
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| Structure |
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| Formula |
C13H13NO3
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| Molecular Weight |
231.251
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| Canonical SMILES |
CC1=C(NCCO)C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C13H13NO3/c1-8-11(14-6-7-15)13(17)10-5-3-2-4-9(10)12(8)16/h2-5,14-15H,6-7H2,1H3
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| InChIKey |
IKXJMZTUOAVWRA-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