General Information of the Compound
| Compound ID |
CP0538377
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| Compound Name |
4-[1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indol-3-yl]butanoic acid
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| Formula |
C26H33N3O3
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| Molecular Weight |
435.568
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCn2cc(CCCC(O)=O)c3ccccc23)CC1
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| InChI |
InChI=1S/C26H33N3O3/c1-32-25-12-5-4-11-24(25)28-18-16-27(17-19-28)14-7-15-29-20-21(8-6-13-26(30)31)22-9-2-3-10-23(22)29/h2-5,9-12,20H,6-8,13-19H2,1H3,(H,30,31)
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| InChIKey |
WYKAGKFOYGISHK-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