General Information of the Compound
| Compound ID |
CP0427610
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| Compound Name |
(+/-)-1-tert-butyl-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 |
C35H49FN4O
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| Molecular Weight |
560.802
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| Canonical SMILES |
COc1ccc2ccccc2c1CCCCN1CCN(CC(N2CCN(CC2)C(C)(C)C)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C35H49FN4O/c1-35(2,3)40-25-23-39(24-26-40)33(29-12-15-30(36)16-13-29)27-38-21-19-37(20-22-38)18-8-7-11-32-31-10-6-5-9-28(31)14-17-34(32)41-4/h5-6,9-10,12-17,33H,7-8,11,18-27H2,1-4H3
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| InChIKey |
MJMYQNMAQLMPKB-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