General Information of the Compound
| Compound ID |
CP0230439
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| Compound Name |
3-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy]isoquinoline
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| Structure |
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| Formula |
C23H25Cl2N3O
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| Molecular Weight |
430.379
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl
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| InChI |
InChI=1S/C23H25Cl2N3O/c24-20-8-5-9-21(23(20)25)28-13-11-27(12-14-28)10-3-4-15-29-22-16-18-6-1-2-7-19(18)17-26-22/h1-2,5-9,16-17H,3-4,10-15H2
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| InChIKey |
MHFKMHGOYNDZEI-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: PT00943, D(3) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2