General Information of the Compound
| Compound ID |
CP0213491
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| Compound Name |
[1-[6-[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]methanol
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| Structure |
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| Formula |
C21H23FN6O
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| Molecular Weight |
394.454
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| Canonical SMILES |
OCc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
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| InChI |
InChI=1S/C21H23FN6O/c22-17-2-1-16-5-10-27(19(16)11-17)18-6-8-26(9-7-18)20-3-4-21(25-24-20)28-13-15(14-29)12-23-28/h1-4,11-13,18,29H,5-10,14H2
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| InChIKey |
WNXJRFBAPGDJPB-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