General Information of the Compound
| Compound ID |
CP0550121
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| Compound Name |
4-[methyl-(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzene-1,3-dicarbonitrile
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| Formula |
C21H14N6
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| Molecular Weight |
350.385
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| Canonical SMILES |
CN(c1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccc(cc1C#N)C#N
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| InChI |
InChI=1S/C21H14N6/c1-27(20-5-2-14(12-22)10-16(20)13-23)17-3-4-19-18(11-17)21(26-25-19)15-6-8-24-9-7-15/h2-11H,1H3,(H,25,26)
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| InChIKey |
ONJKRTJRHHBFLC-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