General Information of the Compound
| Compound ID |
CP0382256
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| Compound Name |
2-[4-[5-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]piperidin-1-yl]-5-propylpyrimidine
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| Structure |
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| Formula |
C27H30FN3O3S
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| Molecular Weight |
495.62
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| Canonical SMILES |
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(ccc2O1)-c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C27H30FN3O3S/c1-3-4-18-16-29-27(30-17-18)31-11-9-19(10-12-31)26-14-21-13-20(5-8-25(21)34-26)23-7-6-22(15-24(23)28)35(2,32)33/h5-8,13,15-17,19,26H,3-4,9-12,14H2,1-2H3
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| InChIKey |
MDCOIDBGBQWHFK-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