General Information of the Compound
| Compound ID |
CP0546879
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| Compound Name |
2-methyl-3-[[(3-pyridin-4-yl-1H-indazol-5-yl)amino]methyl]benzonitrile
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| Structure |
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| Formula |
C21H17N5
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| Molecular Weight |
339.402
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| Canonical SMILES |
Cc1c(CNc2ccc3[nH]nc(-c4ccncc4)c3c2)cccc1C#N
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| InChI |
InChI=1S/C21H17N5/c1-14-16(12-22)3-2-4-17(14)13-24-18-5-6-20-19(11-18)21(26-25-20)15-7-9-23-10-8-15/h2-11,24H,13H2,1H3,(H,25,26)
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| InChIKey |
YPUJLINLOXUEFK-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