General Information of the Compound
| Compound ID |
CP0005770
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| Compound Name |
2-(N-tert-Butylamino)-3'-nitropropiophenone
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| Structure |
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| Formula |
C13H18N2O3
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| Molecular Weight |
250.298
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| Canonical SMILES |
CC(NC(C)(C)C)C(=O)c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C13H18N2O3/c1-9(14-13(2,3)4)12(16)10-6-5-7-11(8-10)15(17)18/h5-9,14H,1-4H3
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| InChIKey |
DDDMGCMKOCLAAT-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter