General Information of the Compound
| Compound ID |
CP0954539
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| Compound Name |
1'-(2-(4-(2-(1H-imidazol-1-yl)ethyl)piperazin-1-yl)-2-phenylethyl)-1,4'-bipiperidine
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| Structure |
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| Formula |
C27H42N6
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| Molecular Weight |
450.675
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| Canonical SMILES |
c1ccc(C(CN2CCC(N3CCCCC3)CC2)N2CCN(CCn3ccnc3)CC2)cc1
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| InChI |
InChI=1S/C27H42N6/c1-3-7-25(8-4-1)27(23-30-14-9-26(10-15-30)32-12-5-2-6-13-32)33-21-19-29(20-22-33)17-18-31-16-11-28-24-31/h1,3-4,7-8,11,16,24,26-27H,2,5-6,9-10,12-15,17-23H2
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| InChIKey |
HFZGXCAYNDAFLN-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