General Information of the Compound
| Compound ID |
CP0517969
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| Compound Name |
2-amino-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-phenylpropan-1-one
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| Structure |
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| Formula |
C19H22N6O
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| Molecular Weight |
350.426
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| Canonical SMILES |
NC(Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc2nccn2n1
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| InChI |
InChI=1S/C19H22N6O/c20-16(14-15-4-2-1-3-5-15)19(26)24-12-10-23(11-13-24)18-7-6-17-21-8-9-25(17)22-18/h1-9,16H,10-14,20H2
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| InChIKey |
GTNOFBUMWPFUNE-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: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1