General Information of the Compound
| Compound ID |
CP0066888
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| Compound Name |
5-ethyl-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 |
C23H30FN3O3S
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| Molecular Weight |
447.576
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H30FN3O3S/c1-3-16-12-25-23(26-13-16)27-8-6-18(7-9-27)20-11-19(20)15-30-14-17-4-5-22(21(24)10-17)31(2,28)29/h4-5,10,12-13,18-20H,3,6-9,11,14-15H2,1-2H3/t19-,20+/m0/s1
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| InChIKey |
HLLLFECGPUXECV-VQTJNVASSA-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