General Information of the Compound
| Compound ID |
CP0547150
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| Compound Name |
4-[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-6-(trifluoromethyl)pyrimidine
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| Structure |
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| Formula |
C19H17F4N5O3S
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| Molecular Weight |
471.436
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1C[C@H](Oc2cc(ncn2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C19H17F4N5O3S/c1-27-9-18(26-11-27)32(29,30)28-7-14(12-2-4-13(20)5-3-12)15(8-28)31-17-6-16(19(21,22)23)24-10-25-17/h2-6,9-11,14-15H,7-8H2,1H3/t14-,15+/m1/s1
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| InChIKey |
RDEPSLFEVZRLLX-CABCVRRESA-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