General Information of the Compound
| Compound ID |
CP0541976
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| Compound Name |
(+/-)-1-cyclopentyl-4-(1-(4-fluorophenyl)-2-{4-[4-(2-methoxy-1-naphthyl)butyl]piperazin-1-yl}ethyl)piperazine
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| Structure |
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| Formula |
C36H49FN4O
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| Molecular Weight |
572.813
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| Canonical SMILES |
COc1ccc2ccccc2c1CCCCN1CCN(CC(N2CCN(CC2)C2CCCC2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C36H49FN4O/c1-42-36-18-15-29-8-2-5-11-33(29)34(36)12-6-7-19-38-20-22-39(23-21-38)28-35(30-13-16-31(37)17-14-30)41-26-24-40(25-27-41)32-9-3-4-10-32/h2,5,8,11,13-18,32,35H,3-4,6-7,9-10,12,19-28H2,1H3
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| InChIKey |
SFMOJNODHLUPIP-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