General Information of the Compound
| Compound ID |
CP0462767
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| Compound Name |
7-[4-(4-tert-Butyl-phenyl)-piperazin-1-ylmethyl]-chromen-2-one
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| Structure |
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| Formula |
C24H28N2O2
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| Molecular Weight |
376.5
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
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| InChI |
InChI=1S/C24H28N2O2/c1-24(2,3)20-7-9-21(10-8-20)26-14-12-25(13-15-26)17-18-4-5-19-6-11-23(27)28-22(19)16-18/h4-11,16H,12-15,17H2,1-3H3
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| InChIKey |
YLFQTNBHHNJQBL-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