General Information of the Compound
| Compound ID |
CP0460805
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| Compound Name |
(2-fluoro-4-methoxyphenyl)-[(3R,5R)-4-(2-fluoro-4-methylbenzoyl)-3,5-dimethylpiperazin-1-yl]methanone
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| Structure |
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| Formula |
C22H24F2N2O3
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| Molecular Weight |
402.441
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| Canonical SMILES |
COc1ccc(C(=O)N2C[C@@H](C)N([C@H](C)C2)C(=O)c2ccc(C)cc2F)c(F)c1
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| InChI |
InChI=1S/C22H24F2N2O3/c1-13-5-7-18(19(23)9-13)22(28)26-14(2)11-25(12-15(26)3)21(27)17-8-6-16(29-4)10-20(17)24/h5-10,14-15H,11-12H2,1-4H3/t14-,15-/m1/s1
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| InChIKey |
DDVYRIQCNWCUFL-HUUCEWRRSA-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