General Information of the Compound
| Compound ID |
CP0547021
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| Compound Name |
3-[[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]propan-1-ol
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| Structure |
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| Formula |
C28H37FN4O4S
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| Molecular Weight |
544.693
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| Canonical SMILES |
CCCc1cnc(nc1)N1CCC(CC1)C1Cc2cc(cc(F)c2O1)C1=CCN(CC1)S(=O)(=O)CCCO
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| InChI |
InChI=1S/C28H37FN4O4S/c1-2-4-20-18-30-28(31-19-20)32-9-5-22(6-10-32)26-17-24-15-23(16-25(29)27(24)37-26)21-7-11-33(12-8-21)38(35,36)14-3-13-34/h7,15-16,18-19,22,26,34H,2-6,8-14,17H2,1H3
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| InChIKey |
UOHKDTYTDYSZSF-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