General Information of the Compound
| Compound ID |
CP0474414
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| Compound Name |
methyl 2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]benzoate
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| Structure |
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| Formula |
C21H24N2O4
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| Molecular Weight |
368.433
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| Canonical SMILES |
COC(=O)c1ccccc1N1CCN(CC1)C(=O)COCc1ccccc1
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| InChI |
InChI=1S/C21H24N2O4/c1-26-21(25)18-9-5-6-10-19(18)22-11-13-23(14-12-22)20(24)16-27-15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
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| InChIKey |
AXXDRLJMHXYFJW-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