General Information of the Compound
| Compound ID |
CP0873392
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| Compound Name |
2-[1-[2-[3-fluoro-2-(2-methoxyethoxy)phenyl]ethyl]piperidin-4-yl]-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]acetamide
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| Structure |
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| Formula |
C28H38F2N2O3
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| Molecular Weight |
488.619
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| Canonical SMILES |
COCCOc1c(F)cccc1CCN1CCC(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1
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| InChI |
InChI=1S/C28H38F2N2O3/c1-20(2)27(22-7-9-24(29)10-8-22)31-26(33)19-21-11-14-32(15-12-21)16-13-23-5-4-6-25(30)28(23)35-18-17-34-3/h4-10,20-21,27H,11-19H2,1-3H3,(H,31,33)/t27-/m1/s1
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| InChIKey |
VVKYNFFWKQUGFK-HHHXNRCGSA-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