General Information of the Compound
| Compound ID |
CP0405659
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| Compound Name |
ethyl 4-(3-nitrophenyl)-1,2,3,6-tetrahydropyridine-5-carboxylate
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| Structure |
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| Formula |
C14H16N2O4
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| Molecular Weight |
276.292
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| Canonical SMILES |
CCOC(=O)C1=C(CCNC1)c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H16N2O4/c1-2-20-14(17)13-9-15-7-6-12(13)10-4-3-5-11(8-10)16(18)19/h3-5,8,15H,2,6-7,9H2,1H3
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| InChIKey |
SDIRDYYWJCYZFU-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