General Information of the Compound
| Compound ID |
CP0320773
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| Compound Name |
6-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-1H-indazole
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| Structure |
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| Formula |
C20H22Cl2N4O
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| Molecular Weight |
405.329
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCOc3ccc4cn[nH]c4c3)CC2)c1Cl
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| InChI |
InChI=1S/C20H22Cl2N4O/c21-17-3-1-4-19(20(17)22)26-10-8-25(9-11-26)7-2-12-27-16-6-5-15-14-23-24-18(15)13-16/h1,3-6,13-14H,2,7-12H2,(H,23,24)
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| InChIKey |
WOXYKTMEOIXZAQ-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