General Information of the Compound
| Compound ID |
CP0545147
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| Compound Name |
5-methyl-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
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| Formula |
C20H15N5
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| Molecular Weight |
325.375
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| Canonical SMILES |
Cc1ccc(Nc2ccc3[nH]nc(-c4ccncc4)c3c2)c(c1)C#N
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| InChI |
InChI=1S/C20H15N5/c1-13-2-4-18(15(10-13)12-21)23-16-3-5-19-17(11-16)20(25-24-19)14-6-8-22-9-7-14/h2-11,23H,1H3,(H,24,25)
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| InChIKey |
AUJMMKVJUKYWCO-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