General Information of the Compound
| Compound ID |
CP0492687
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| Compound Name |
N-[2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-5-methylphenyl]-4-nitrobenzamide
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| Structure |
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| Formula |
C23H23N3O3S
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| Molecular Weight |
421.522
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| Canonical SMILES |
CN(C)Cc1ccccc1Sc1ccc(C)cc1NC(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H23N3O3S/c1-16-8-13-22(30-21-7-5-4-6-18(21)15-25(2)3)20(14-16)24-23(27)17-9-11-19(12-10-17)26(28)29/h4-14H,15H2,1-3H3,(H,24,27)
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| InChIKey |
PWVMDDIYWPUTLR-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