General Information of the Compound
| Compound ID |
CP0348653
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| Compound Name |
N-[1-[[4-[3-[6-(4-fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C27H31FN4O2
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| Molecular Weight |
462.569
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| Canonical SMILES |
CC(=O)NC1CCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(F)cc3)cc2)CC1
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| InChI |
InChI=1S/C27H31FN4O2/c1-20(33)29-24-14-16-32(17-15-24)19-21-4-11-26(12-5-21)34-18-2-3-25-10-13-27(31-30-25)22-6-8-23(28)9-7-22/h4-13,24H,2-3,14-19H2,1H3,(H,29,33)
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| InChIKey |
MZYXOMZPGDOVJK-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