General Information of the Compound
| Compound ID |
CP0391874
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| Compound Name |
4'-[(3-Isobutyrylamino-pyridin-2-ylamino)-methyl]-biphenyl-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C24H25N3O3
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| Molecular Weight |
403.482
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| Canonical SMILES |
COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)C(C)C)cc1
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| InChI |
InChI=1S/C24H25N3O3/c1-16(2)23(28)27-21-9-6-14-25-22(21)26-15-17-10-12-18(13-11-17)19-7-4-5-8-20(19)24(29)30-3/h4-14,16H,15H2,1-3H3,(H,25,26)(H,27,28)
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| InChIKey |
SINPOXJGZCTVBI-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