General Information of the Compound
| Compound ID |
CP0433973
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| Compound Name |
[5-[6-[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyridin-2-yl]methanol
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| Structure |
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| Formula |
C23H24FN5O
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| Molecular Weight |
405.477
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| Canonical SMILES |
OCc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
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| InChI |
InChI=1S/C23H24FN5O/c24-18-3-1-16-7-12-29(22(16)13-18)20-8-10-28(11-9-20)23-6-5-21(26-27-23)17-2-4-19(15-30)25-14-17/h1-6,13-14,20,30H,7-12,15H2
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| InChIKey |
YLQRMKQJUAYGBI-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