General Information of the Compound
| Compound ID |
CP0517019
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| Compound Name |
4-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]indol-3-yl]butanoic acid
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| Formula |
C27H35N3O3
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| Molecular Weight |
449.595
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCn2cc(CCCC(O)=O)c3ccccc23)CC1
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| InChI |
InChI=1S/C27H35N3O3/c1-33-26-13-5-4-12-25(26)29-19-17-28(18-20-29)15-6-7-16-30-21-22(9-8-14-27(31)32)23-10-2-3-11-24(23)30/h2-5,10-13,21H,6-9,14-20H2,1H3,(H,31,32)
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| InChIKey |
YZCQTZCKJQJPLF-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