General Information of the Compound
| Compound ID |
CP0887648
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| Compound Name |
2-(2-(4-chlorophenyl)-3-((3-oxopiperazin-1-yl)methyl)imidazo[1,2-a]pyridin-6-yl)benzonitrile
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| Structure |
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| Formula |
C25H20ClN5O
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| Molecular Weight |
441.922
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| Canonical SMILES |
N#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCNC(=O)C3)n2c1
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| InChI |
InChI=1S/C25H20ClN5O/c26-20-8-5-17(6-9-20)25-22(15-30-12-11-28-24(32)16-30)31-14-19(7-10-23(31)29-25)21-4-2-1-3-18(21)13-27/h1-10,14H,11-12,15-16H2,(H,28,32)
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| InChIKey |
COTUZGGMKWNIDS-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