General Information of the Compound
| Compound ID |
CP0568003
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| Compound Name |
4-[[3-(2-methylpyridin-4-yl)-1H-indazol-5-yl]amino]benzene-1,3-dicarbonitrile
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| Structure |
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| Formula |
C21H14N6
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| Molecular Weight |
350.385
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| Canonical SMILES |
Cc1cc(ccn1)-c1n[nH]c2ccc(Nc3ccc(cc3C#N)C#N)cc12
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| InChI |
InChI=1S/C21H14N6/c1-13-8-15(6-7-24-13)21-18-10-17(3-5-20(18)26-27-21)25-19-4-2-14(11-22)9-16(19)12-23/h2-10,25H,1H3,(H,26,27)
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| InChIKey |
NRFXHAGPOFBYHE-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