General Information of the Compound
| Compound ID |
CP0400864
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| Compound Name |
3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C25H18N6
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| Molecular Weight |
402.461
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(Cc2cccc(c2)C#N)cc1-c1ccc2ncccc2n1
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| InChI |
InChI=1S/C25H18N6/c1-17-5-2-8-24(28-17)25-20(21-10-11-22-23(29-21)9-4-12-27-22)16-31(30-25)15-19-7-3-6-18(13-19)14-26/h2-13,16H,15H2,1H3
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| InChIKey |
XAODFEVJBJRBMT-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