General Information of the Compound
| Compound ID |
CP0042307
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| Compound Name |
5-fluoro-2-[4-[(1R,2R)-2-[(3-fluoro-4-methylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]pyrimidine
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| Structure |
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| Formula |
C21H25F2N3O3S
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| Molecular Weight |
437.512
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| Canonical SMILES |
CS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(F)cn2)cc1F
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| InChI |
InChI=1S/C21H25F2N3O3S/c1-30(27,28)20-3-2-14(8-19(20)23)12-29-13-16-9-18(16)15-4-6-26(7-5-15)21-24-10-17(22)11-25-21/h2-3,8,10-11,15-16,18H,4-7,9,12-13H2,1H3/t16-,18+/m0/s1
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| InChIKey |
VYUZUCFTYUNDMX-FUHWJXTLSA-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