General Information of the Compound
| Compound ID |
CP0382657
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| Compound Name |
7-fluoro-N-[1-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C28H31F2N3O4
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| Molecular Weight |
511.569
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| Canonical SMILES |
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCN3CCCC3)c(F)c2)CC1
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| InChI |
InChI=1S/C28H31F2N3O4/c29-20-4-5-22-24(34)17-27(37-26(22)16-20)28(35)31-21-7-11-33(12-8-21)18-19-3-6-25(23(30)15-19)36-14-13-32-9-1-2-10-32/h3-6,15-17,21H,1-2,7-14,18H2,(H,31,35)
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| InChIKey |
HLZNAQVCWPQRSV-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