General Information of the Compound
| Compound ID |
CP0499699
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| Compound Name |
2-[4-(3,4-dichlorophenyl)piperazin-1-ylmethyl]-6-(piperidin-1-yl)imidazo[1,2-b]pyridazine
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| Structure |
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| Formula |
C22H26Cl2N6
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| Molecular Weight |
445.398
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| Canonical SMILES |
Clc1ccc(cc1Cl)N1CCN(Cc2cn3nc(ccc3n2)N2CCCCC2)CC1
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| InChI |
InChI=1S/C22H26Cl2N6/c23-19-5-4-18(14-20(19)24)28-12-10-27(11-13-28)15-17-16-30-21(25-17)6-7-22(26-30)29-8-2-1-3-9-29/h4-7,14,16H,1-3,8-13,15H2
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| InChIKey |
ACHQQXOLWIKHRK-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
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor