General Information of the Compound
| Compound ID |
CP0466836
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| Compound Name |
5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-thiophene-2-carbaldehyde
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| Structure |
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| Formula |
C17H20N2O2S
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| Molecular Weight |
316.426
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1
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| InChI |
InChI=1S/C17H20N2O2S/c1-21-17-5-3-2-4-16(17)19-10-8-18(9-11-19)12-14-6-7-15(13-20)22-14/h2-7,13H,8-12H2,1H3
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| InChIKey |
NZGIGUXZZCUKJN-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor