General Information of the Compound
| Compound ID |
CP0532271
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| Compound Name |
[(2R,6R)-4-(2-fluoro-5-methoxybenzoyl)-2,6-dimethylpiperazin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C22H24F2N2O4
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| Molecular Weight |
418.44
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| Canonical SMILES |
COc1ccc(C(=O)N2[C@H](C)CN(C[C@H]2C)C(=O)c2cc(OC)ccc2F)c(F)c1
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| InChI |
InChI=1S/C22H24F2N2O4/c1-13-11-25(21(27)18-9-15(29-3)6-8-19(18)23)12-14(2)26(13)22(28)17-7-5-16(30-4)10-20(17)24/h5-10,13-14H,11-12H2,1-4H3/t13-,14-/m1/s1
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| InChIKey |
LTRBZLKGQIVQQI-ZIAGYGMSSA-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