General Information of the Compound
| Compound ID |
CP0534176
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| Compound Name |
N-[3-(benzylmethylamino)propyl]-4-cyanobenzamide
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| Structure |
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| Formula |
C19H21N3O
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| Molecular Weight |
307.397
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| Canonical SMILES |
CN(CCCNC(=O)c1ccc(cc1)C#N)Cc1ccccc1
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| InChI |
InChI=1S/C19H21N3O/c1-22(15-17-6-3-2-4-7-17)13-5-12-21-19(23)18-10-8-16(14-20)9-11-18/h2-4,6-11H,5,12-13,15H2,1H3,(H,21,23)
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| InChIKey |
ITUAAGUADXVGBR-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: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1