General Information of the Compound
| Compound ID |
CP0574466
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| Compound Name |
2-[4-[(4-fluorophenyl)methyl-[[4-(2-methylpropoxy)phenyl]methylcarbamoyl]amino]piperidin-1-yl]-N,N-dimethylacetamide
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| Structure |
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| Formula |
C28H39FN4O3
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| Molecular Weight |
498.643
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| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(CC(=O)N(C)C)CC2)cc1
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| InChI |
InChI=1S/C28H39FN4O3/c1-21(2)20-36-26-11-7-22(8-12-26)17-30-28(35)33(18-23-5-9-24(29)10-6-23)25-13-15-32(16-14-25)19-27(34)31(3)4/h5-12,21,25H,13-20H2,1-4H3,(H,30,35)
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| InChIKey |
VMMZTSPODIBJBF-UHFFFAOYSA-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