General Information of the Compound
| Compound ID |
CP0524237
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| Compound Name |
((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)(5-methylpyrazin-2-yl)methanone
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| Structure |
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| Formula |
C26H22F7N3O2
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| Molecular Weight |
541.467
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| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)c1cnc(C)cn1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H22F7N3O2/c1-14-10-35-22(11-34-14)24(37)36-12-21(16-3-5-20(27)6-4-16)23(13-36)38-15(2)17-7-18(25(28,29)30)9-19(8-17)26(31,32)33/h3-11,15,21,23H,12-13H2,1-2H3/t15-,21+,23-/m1/s1
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| InChIKey |
DJRYUPGFAHJFKZ-LDLFBNOTSA-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