General Information of the Compound
| Compound ID |
CP0961791
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| Compound Name |
2-(4-(2-(1,4'-bipiperidin-1'-yl)-1-phenylethyl)piperazin-1-yl)-N,N-diethylethanamine
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| Structure |
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| Formula |
C28H49N5
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| Molecular Weight |
455.735
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| Canonical SMILES |
CCN(CC)CCN1CCN(C(CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1
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| InChI |
InChI=1S/C28H49N5/c1-3-29(4-2)19-20-30-21-23-33(24-22-30)28(26-11-7-5-8-12-26)25-31-17-13-27(14-18-31)32-15-9-6-10-16-32/h5,7-8,11-12,27-28H,3-4,6,9-10,13-25H2,1-2H3
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| InChIKey |
JUBHSUFPWFFAQG-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