General Information of the Compound
| Compound ID |
CP0178182
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| Compound Name |
4-[6-[3-[4-(piperidin-1-ylmethyl)anilino]propyl]pyridazin-3-yl]benzonitrile
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| Structure |
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| Formula |
C26H29N5
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| Molecular Weight |
411.553
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| Canonical SMILES |
N#Cc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCCC3)cc2)nn1
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| InChI |
InChI=1S/C26H29N5/c27-19-21-6-10-23(11-7-21)26-15-14-25(29-30-26)5-4-16-28-24-12-8-22(9-13-24)20-31-17-2-1-3-18-31/h6-15,28H,1-5,16-18,20H2
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| InChIKey |
ULODTCAXRIIVLU-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