General Information of the Compound
| Compound ID |
CP0508784
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| Compound Name |
4'-[(3-Propionylamino-pyridin-2-ylamino)-methyl]-biphenyl-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C23H23N3O3
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| Molecular Weight |
389.455
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| Canonical SMILES |
CCC(=O)Nc1cccnc1NCc1ccc(cc1)-c1ccccc1C(=O)OC
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| InChI |
InChI=1S/C23H23N3O3/c1-3-21(27)26-20-9-6-14-24-22(20)25-15-16-10-12-17(13-11-16)18-7-4-5-8-19(18)23(28)29-2/h4-14H,3,15H2,1-2H3,(H,24,25)(H,26,27)
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| InChIKey |
WAGUQNWLJMFJLS-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