General Information of the Compound
| Compound ID |
CP0278617
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| Compound Name |
2-[5-[6-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C22H20BrFN4O3
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| Molecular Weight |
487.329
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| Canonical SMILES |
OC(=O)Cc1cncc(c1)-c1ccc(nn1)N1CCC(CC1)Oc1cc(F)ccc1Br
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| InChI |
InChI=1S/C22H20BrFN4O3/c23-18-2-1-16(24)11-20(18)31-17-5-7-28(8-6-17)21-4-3-19(26-27-21)15-9-14(10-22(29)30)12-25-13-15/h1-4,9,11-13,17H,5-8,10H2,(H,29,30)
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| InChIKey |
QRBORTBSPFTFBT-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