General Information of the Compound
| Compound ID |
CP0550682
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| Compound Name |
4-[[4-[7-fluoro-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]butan-1-ol
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| Structure |
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| Formula |
C29H39FN4O4S
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| Molecular Weight |
558.72
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| Canonical SMILES |
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(cc(F)c2O1)C1=CCN(CC1)S(=O)(=O)CCCCO
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| InChI |
InChI=1S/C29H39FN4O4S/c1-2-5-21-19-31-29(32-20-21)33-10-6-23(7-11-33)27-18-25-16-24(17-26(30)28(25)38-27)22-8-12-34(13-9-22)39(36,37)15-4-3-14-35/h8,16-17,19-20,23,27,35H,2-7,9-15,18H2,1H3
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| InChIKey |
XHSHAXCLOWPGEZ-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