General Information of the Compound
| Compound ID |
CP0534439
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| Compound Name |
4-[4-(3-methoxypyridin-2-yl)piperidin-1-yl]-1-pyridazin-3-ylazepane
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| Structure |
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| Formula |
C21H29N5O
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| Molecular Weight |
367.497
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| Canonical SMILES |
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cccnn1
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| InChI |
InChI=1S/C21H29N5O/c1-27-19-6-2-11-22-21(19)17-8-14-25(15-9-17)18-5-4-13-26(16-10-18)20-7-3-12-23-24-20/h2-3,6-7,11-12,17-18H,4-5,8-10,13-16H2,1H3
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| InChIKey |
UAAGWJXNZLCONN-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