General Information of the Compound
| Compound ID |
CP0946031
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| Compound Name |
3-(Hydroxy-methyl-amino)-1-(4-nitro-phenyl)-propenone
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| Structure |
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| Formula |
C10H10N2O4
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| Molecular Weight |
222.2
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| Canonical SMILES |
CN(O)/C=C\C(=O)c1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C10H10N2O4/c1-11(14)7-6-10(13)8-2-4-9(5-3-8)12(15)16/h2-7,14H,1H3/b7-6-
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| InChIKey |
QIOPCDHQPBQNDT-SREVYHEPSA-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