General Information of the Compound
| Compound ID |
CP0187462
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| Compound Name |
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-indazole
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| Structure |
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| Formula |
C21H24Cl2N4O
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| Molecular Weight |
419.356
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCOc3ccc4cn[nH]c4c3)CC2)c1Cl
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| InChI |
InChI=1S/C21H24Cl2N4O/c22-18-4-3-5-20(21(18)23)27-11-9-26(10-12-27)8-1-2-13-28-17-7-6-16-15-24-25-19(16)14-17/h3-7,14-15H,1-2,8-13H2,(H,24,25)
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| InChIKey |
IKOXHMZXTCWMQE-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: PT01005, D(2) dopamine receptor
Cell-based Assay