General Information of the Compound
| Compound ID |
CP0945993
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| Compound Name |
1'[2-Phenyl-2-(4-pyridin-2-yl-piperazin-1-yl)ethyl][1,4']bipiperidinyl
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| Structure |
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| Formula |
C27H39N5
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| Molecular Weight |
433.644
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| Canonical SMILES |
c1ccc(C(CN2CCC(N3CCCCC3)CC2)N2CCN(c3ccccn3)CC2)cc1
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| InChI |
InChI=1S/C27H39N5/c1-3-9-24(10-4-1)26(31-19-21-32(22-20-31)27-11-5-6-14-28-27)23-29-17-12-25(13-18-29)30-15-7-2-8-16-30/h1,3-6,9-11,14,25-26H,2,7-8,12-13,15-23H2
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| InChIKey |
SUKZPDAPKWRDON-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