General Information of the Compound
| Compound ID |
CP0508176
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| Compound Name |
2-(2,3-dichlorophenyl)-6-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one
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| Structure |
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| Formula |
C25H23Cl2FN4O3
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| Molecular Weight |
517.388
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| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cccc(Cl)c2Cl)CC1
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| InChI |
InChI=1S/C25H23Cl2FN4O3/c26-19-3-1-4-20(24(19)27)32-23(33)8-7-22(29-32)34-14-2-11-31-12-9-16(10-13-31)25-18-6-5-17(28)15-21(18)35-30-25/h1,3-8,15-16H,2,9-14H2
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| InChIKey |
MJNIHQSWWWZHAP-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