General Information of the Compound
| Compound ID |
CP0579326
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| Compound Name |
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]-5,6-difluoroindole
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| Structure |
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| Formula |
C29H31F2N3
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| Molecular Weight |
459.584
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| Canonical SMILES |
Fc1cc2ccn(CCCCN3CCN(CC3)C(c3ccccc3)c3ccccc3)c2cc1F
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| InChI |
InChI=1S/C29H31F2N3/c30-26-21-25-13-16-33(28(25)22-27(26)31)15-8-7-14-32-17-19-34(20-18-32)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-13,16,21-22,29H,7-8,14-15,17-20H2
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| InChIKey |
WIFCPCVOEQVWIL-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