General Information of the Compound
| Compound ID |
CP0534931
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| Compound Name |
4-[1-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]indol-3-yl]butanoic acid
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| Formula |
C27H34ClN3O2
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| Molecular Weight |
468.041
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| Canonical SMILES |
OC(=O)CCCc1cn(CCCCCN2CCN(CC2)c2ccccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C27H34ClN3O2/c28-24-11-3-5-13-26(24)30-19-17-29(18-20-30)15-6-1-7-16-31-21-22(9-8-14-27(32)33)23-10-2-4-12-25(23)31/h2-5,10-13,21H,1,6-9,14-20H2,(H,32,33)
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| InChIKey |
SADGWXRWSBZIIA-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