General Information of the Compound
| Compound ID |
CP0158187
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| Compound Name |
2-[4-[[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxymethyl]-3-fluorophenyl]sulfonylethanol
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| Structure |
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| Formula |
C22H27ClFN3O4S
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| Molecular Weight |
483.993
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| Canonical SMILES |
OCCS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)c(F)c1
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| InChI |
InChI=1S/C22H27ClFN3O4S/c23-18-11-25-22(26-12-18)27-5-3-15(4-6-27)20-9-17(20)14-31-13-16-1-2-19(10-21(16)24)32(29,30)8-7-28/h1-2,10-12,15,17,20,28H,3-9,13-14H2/t17-,20+/m0/s1
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| InChIKey |
RUIBOINVBBNTJI-FXAWDEMLSA-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