General Information of the Compound
| Compound ID |
CP0315667
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| Compound Name |
5-[6-[4-(2-bromophenoxy)piperidin-1-yl]pyridazin-3-yl]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C21H19BrN4O3
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| Molecular Weight |
455.312
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| Canonical SMILES |
OC(=O)c1cncc(c1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1Br
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| InChI |
InChI=1S/C21H19BrN4O3/c22-17-3-1-2-4-19(17)29-16-7-9-26(10-8-16)20-6-5-18(24-25-20)14-11-15(21(27)28)13-23-12-14/h1-6,11-13,16H,7-10H2,(H,27,28)
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| InChIKey |
WXFQEONJOQLPLU-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