General Information of the Compound
| Compound ID |
CP0900090
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| Compound Name |
4-(2-(1,4'-bipiperidin-1'-yl)-1-(4-(2-methoxyethyl)piperazin-1-yl)ethyl)benzonitrile
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| Structure |
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| Formula |
C26H41N5O
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| Molecular Weight |
439.648
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| Canonical SMILES |
COCCN1CCN(C(CN2CCC(N3CCCCC3)CC2)c2ccc(C#N)cc2)CC1
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| InChI |
InChI=1S/C26H41N5O/c1-32-20-19-28-15-17-31(18-16-28)26(24-7-5-23(21-27)6-8-24)22-29-13-9-25(10-14-29)30-11-3-2-4-12-30/h5-8,25-26H,2-4,9-20,22H2,1H3
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| InChIKey |
SZUZITSNCMHLSF-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