General Information of the Compound
| Compound ID |
CP0401646
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| Compound Name |
1-(5-Bromo-thiophen-2-ylmethyl)-4-(2-methoxy-phenyl)-piperazine
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| Structure |
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| Formula |
C16H19BrN2OS
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| Molecular Weight |
367.312
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1
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| InChI |
InChI=1S/C16H19BrN2OS/c1-20-15-5-3-2-4-14(15)19-10-8-18(9-11-19)12-13-6-7-16(17)21-13/h2-7H,8-12H2,1H3
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| InChIKey |
IGPCTLTXCPFDIO-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