General Information of the Compound
| Compound ID |
CP0203129
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| Compound Name |
2-[4-[(1R,2R)-2-[(2-fluoro-4-methylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]-5-(methoxymethyl)pyrimidine
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| Structure |
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| Formula |
C23H30FN3O4S
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| Molecular Weight |
463.575
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| Canonical SMILES |
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C23H30FN3O4S/c1-30-13-16-11-25-23(26-12-16)27-7-5-17(6-8-27)21-9-19(21)15-31-14-18-3-4-20(10-22(18)24)32(2,28)29/h3-4,10-12,17,19,21H,5-9,13-15H2,1-2H3/t19-,21+/m0/s1
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| InChIKey |
KMUOWVJTLAOVPK-PZJWPPBQSA-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