General Information of the Compound
| Compound ID |
CP0579536
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| Compound Name |
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-5-fluoroindole
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| Structure |
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| Formula |
C29H32FN3
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| Molecular Weight |
441.594
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| Canonical SMILES |
Fc1ccc2n(CCCCN3CCN(CC3)C(c3ccccc3)c3ccccc3)ccc2c1
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| InChI |
InChI=1S/C29H32FN3/c30-27-13-14-28-26(23-27)15-18-32(28)17-8-7-16-31-19-21-33(22-20-31)29(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-15,18,23,29H,7-8,16-17,19-22H2
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| InChIKey |
DBPJVKYCLAAALW-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