General Information of the Compound
| Compound ID |
CP0019097
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| Compound Name |
3-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyridin-4-yl]benzonitrile
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| Structure |
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| Formula |
C24H25N5O
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| Molecular Weight |
399.498
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| Canonical SMILES |
COc1cc(Nc2cc(ccn2)-c2cccc(c2)C#N)ccc1N1CCN(C)CC1
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| InChI |
InChI=1S/C24H25N5O/c1-28-10-12-29(13-11-28)22-7-6-21(16-23(22)30-2)27-24-15-20(8-9-26-24)19-5-3-4-18(14-19)17-25/h3-9,14-16H,10-13H2,1-2H3,(H,26,27)
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| InChIKey |
YTRKGSFSZXFLJT-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