General Information of the Compound
| Compound ID |
CP0453097
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| Compound Name |
[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanol
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| Structure |
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| Formula |
C19H26N2O2S
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| Molecular Weight |
346.496
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| Canonical SMILES |
CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1
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| InChI |
InChI=1S/C19H26N2O2S/c1-15(2)23-19-6-4-3-5-18(19)21-9-7-20(8-10-21)12-17-11-16(13-22)14-24-17/h3-6,11,14-15,22H,7-10,12-13H2,1-2H3
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| InChIKey |
FHHPURZYJUQVBM-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