General Information of the Compound
| Compound ID |
CP0266933
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| Compound Name |
(+/-)-1-(1-(4-fluorophenyl)-2-{4-[4-(2-methoxy-1-naphthyl)butyl]piperazin-1-yl}ethyl)-4-methylpiperazine
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| Structure |
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| Formula |
C32H43FN4O
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| Molecular Weight |
518.721
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| Canonical SMILES |
COc1ccc2ccccc2c1CCCCN1CCN(CC(N2CCN(C)CC2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C32H43FN4O/c1-34-17-23-37(24-18-34)31(27-10-13-28(33)14-11-27)25-36-21-19-35(20-22-36)16-6-5-9-30-29-8-4-3-7-26(29)12-15-32(30)38-2/h3-4,7-8,10-15,31H,5-6,9,16-25H2,1-2H3
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| InChIKey |
KLYBPNHUSHFSOF-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