General Information of the Compound
| Compound ID |
CP0961788
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| Compound Name |
Benzyl[1-(4-fluorophenyl)-2-(2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-yl)ethyl]amine
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| Structure |
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| Formula |
C23H26FN5
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| Molecular Weight |
391.494
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| Canonical SMILES |
Fc1ccc(C(CN2CCN(c3cnccn3)CC2)NCc2ccccc2)cc1
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| InChI |
InChI=1S/C23H26FN5/c24-21-8-6-20(7-9-21)22(27-16-19-4-2-1-3-5-19)18-28-12-14-29(15-13-28)23-17-25-10-11-26-23/h1-11,17,22,27H,12-16,18H2
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| InChIKey |
HYIBFLUSMGETIK-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