General Information of the Compound
| Compound ID |
CP0115856
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| Compound Name |
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
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| Structure |
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| Formula |
C23H24N4O2
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| Molecular Weight |
388.471
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| Canonical SMILES |
Nc1ncc(cc1-c1ccc2OCCOc2c1)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C23H24N4O2/c24-23-20(17-3-6-21-22(14-17)29-12-11-28-21)13-18(15-26-23)16-1-4-19(5-2-16)27-9-7-25-8-10-27/h1-6,13-15,25H,7-12H2,(H2,24,26)
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| InChIKey |
VSJMBQDPKOGFLY-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