General Information of the Compound
| Compound ID |
CP0095681
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| Compound Name |
[1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-yl]methanol
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| Structure |
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| Formula |
C26H30ClN3O2
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| Molecular Weight |
451.998
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| Canonical SMILES |
OCC1CCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(Cl)cc3)cc2)CC1
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| InChI |
InChI=1S/C26H30ClN3O2/c27-23-7-5-22(6-8-23)26-12-9-24(28-29-26)2-1-17-32-25-10-3-20(4-11-25)18-30-15-13-21(19-31)14-16-30/h3-12,21,31H,1-2,13-19H2
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| InChIKey |
MQOANKATOVPZEV-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