General Information of the Compound
| Compound ID |
CP0900085
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| Compound Name |
1-(4-Fluorophenyl)-N2-methyl-N2-[2-(methylpyrazin-2-yl-amino)ethyl]-N1-pyridin-2-ylmethylethane-1,2-diamine
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| Structure |
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| Formula |
C22H27FN6
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| Molecular Weight |
394.498
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| Canonical SMILES |
CN(CCN(C)c1cnccn1)CC(NCc1ccccn1)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H27FN6/c1-28(13-14-29(2)22-16-24-11-12-26-22)17-21(18-6-8-19(23)9-7-18)27-15-20-5-3-4-10-25-20/h3-12,16,21,27H,13-15,17H2,1-2H3
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| InChIKey |
APHMJYSANZQSPT-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