General Information of the Compound
| Compound ID |
CP0874390
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| Compound Name |
2-(2-(4-chlorophenyl)-3-((4-(3-fluorobenzoyl)piperazin-1-yl)methyl)imidazo[1,2-a]pyridin-6-yl)benzonitrile
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| Structure |
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| Formula |
C32H25ClFN5O
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| Molecular Weight |
550.037
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| Canonical SMILES |
N#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4cccc(F)c4)CC3)n2c1
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| InChI |
InChI=1S/C32H25ClFN5O/c33-26-11-8-22(9-12-26)31-29(21-37-14-16-38(17-15-37)32(40)23-5-3-6-27(34)18-23)39-20-25(10-13-30(39)36-31)28-7-2-1-4-24(28)19-35/h1-13,18,20H,14-17,21H2
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| InChIKey |
RUUPYAJGKUONHI-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