General Information of the Compound
| Compound ID |
CP0376595
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| Compound Name |
N-[3-(6-methoxypyridazin-3-yl)propyl]-4-(piperidin-1-ylmethyl)aniline
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| Structure |
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| Formula |
C20H28N4O
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| Molecular Weight |
340.471
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| Canonical SMILES |
COc1ccc(CCCNc2ccc(CN3CCCCC3)cc2)nn1
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| InChI |
InChI=1S/C20H28N4O/c1-25-20-12-11-19(22-23-20)6-5-13-21-18-9-7-17(8-10-18)16-24-14-3-2-4-15-24/h7-12,21H,2-6,13-16H2,1H3
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| InChIKey |
WNWAYKVHLHKOTN-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