General Information of the Compound
| Compound ID |
CP0425685
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| Compound Name |
4-[1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]indol-3-yl]butanoic acid
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| Formula |
C26H32ClN3O2
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| Molecular Weight |
454.014
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| Canonical SMILES |
OC(=O)CCCc1cn(CCCCN2CCN(CC2)c2ccccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C26H32ClN3O2/c27-23-10-2-4-12-25(23)29-18-16-28(17-19-29)14-5-6-15-30-20-21(8-7-13-26(31)32)22-9-1-3-11-24(22)30/h1-4,9-12,20H,5-8,13-19H2,(H,31,32)
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| InChIKey |
MCZZODFVQRRXCY-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