General Information of the Compound
| Compound ID |
CP0960257
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| Compound Name |
N-(5-cyano-2-(4-((5-methoxypyridin-2-yl)methyl)piperazin-1-yl)phenyl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C25H26N6O3
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| Molecular Weight |
458.522
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| Canonical SMILES |
COc1ccc(CN2CCN(c3ccc(C#N)cc3NC(=O)c3cccnc3OC)CC2)nc1
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| InChI |
InChI=1S/C25H26N6O3/c1-33-20-7-6-19(28-16-20)17-30-10-12-31(13-11-30)23-8-5-18(15-26)14-22(23)29-24(32)21-4-3-9-27-25(21)34-2/h3-9,14,16H,10-13,17H2,1-2H3,(H,29,32)
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| InChIKey |
XPXQEYCHUBUXLM-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