General Information of the Compound
| Compound ID |
CP0431610
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| Compound Name |
N-(3-{5-[(3,4,5-trimethoxyphenyl)amino]pyridin-3-yl}phenyl)acetamide
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| Structure |
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| Formula |
C22H23N3O4
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| Molecular Weight |
393.443
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| Canonical SMILES |
COc1cc(Nc2cncc(c2)-c2cccc(NC(C)=O)c2)cc(OC)c1OC
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| InChI |
InChI=1S/C22H23N3O4/c1-14(26)24-17-7-5-6-15(8-17)16-9-19(13-23-12-16)25-18-10-20(27-2)22(29-4)21(11-18)28-3/h5-13,25H,1-4H3,(H,24,26)
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| InChIKey |
RFWVAJYFTBJQFF-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