General Information of the Compound
| Compound ID |
CP0905724
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| Compound Name |
[4-(2-[1,4']Bipiperidinyl-1'-yl-1-phenylethyl)piperazin-1-yl](tetrahydrofuran-2-yl)methanone
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| Structure |
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| Formula |
C27H42N4O2
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| Molecular Weight |
454.659
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| Canonical SMILES |
O=C(C1CCCO1)N1CCN(C(CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1
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| InChI |
InChI=1S/C27H42N4O2/c32-27(26-10-7-21-33-26)31-19-17-30(18-20-31)25(23-8-3-1-4-9-23)22-28-15-11-24(12-16-28)29-13-5-2-6-14-29/h1,3-4,8-9,24-26H,2,5-7,10-22H2
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| InChIKey |
XKNLTAOPAMOFSE-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