General Information of the Compound
| Compound ID |
CP0207670
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| Compound Name |
3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-3,4-dihydro-2H-naphthalen-1-one
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| Structure |
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| Formula |
C25H29FN2O2
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| Molecular Weight |
408.517
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCN(CC2CC(=O)c3ccccc3C2)CC1
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| InChI |
InChI=1S/C25H29FN2O2/c26-22-9-7-20(8-10-22)24(29)6-3-11-27-12-14-28(15-13-27)18-19-16-21-4-1-2-5-23(21)25(30)17-19/h1-2,4-5,7-10,19H,3,6,11-18H2
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| InChIKey |
WIVGCTVBLDUZMD-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