General Information of the Compound
| Compound ID |
CP0960244
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| Compound Name |
1'-{2-Phenyl-2-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]ethyl}[1,4']bipiperidinyl
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| Structure |
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| Formula |
C27H44N4O
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| Molecular Weight |
440.676
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| Canonical SMILES |
c1ccc(C(CN2CCC(N3CCCCC3)CC2)N2CCN(CC3CCCO3)CC2)cc1
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| InChI |
InChI=1S/C27H44N4O/c1-3-8-24(9-4-1)27(31-19-17-29(18-20-31)22-26-10-7-21-32-26)23-28-15-11-25(12-16-28)30-13-5-2-6-14-30/h1,3-4,8-9,25-27H,2,5-7,10-23H2
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| InChIKey |
VLQWBBAISJOUST-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