General Information of the Compound
| Compound ID |
CP0466047
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| Compound Name |
1-[1-[6-(1-ethylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-fluoro-2,3-dihydroindole
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| Structure |
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| Formula |
C22H25FN6
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| Molecular Weight |
392.482
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| Canonical SMILES |
CCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
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| InChI |
InChI=1S/C22H25FN6/c1-2-28-15-17(14-24-28)20-5-6-22(26-25-20)27-10-8-19(9-11-27)29-12-7-16-3-4-18(23)13-21(16)29/h3-6,13-15,19H,2,7-12H2,1H3
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| InChIKey |
ZWXIGUDEOUIULA-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