General Information of the Compound
| Compound ID |
CP0245162
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| Compound Name |
N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
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| Structure |
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| Formula |
C25H30N4O3
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| Molecular Weight |
434.54
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| Canonical SMILES |
CNc1ncc(cc1-c1cc(OC)c(OC)c(OC)c1)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C25H30N4O3/c1-26-25-21(18-14-22(30-2)24(32-4)23(15-18)31-3)13-19(16-28-25)17-5-7-20(8-6-17)29-11-9-27-10-12-29/h5-8,13-16,27H,9-12H2,1-4H3,(H,26,28)
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| InChIKey |
PHVIDGNOESEQKP-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