General Information of the Compound
| Compound ID |
CP0930929
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| Compound Name |
[1-(4-Fluorophenyl)-2-(2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-yl)ethyl]thiophen-2-ylmethylamine
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| Structure |
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| Formula |
C21H24FN5S
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| Molecular Weight |
397.523
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| Canonical SMILES |
Fc1ccc(C(CN2CCN(c3cnccn3)CC2)NCc2cccs2)cc1
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| InChI |
InChI=1S/C21H24FN5S/c22-18-5-3-17(4-6-18)20(25-14-19-2-1-13-28-19)16-26-9-11-27(12-10-26)21-15-23-7-8-24-21/h1-8,13,15,20,25H,9-12,14,16H2
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| InChIKey |
RYEHLSSLBFAZNZ-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