General Information of the Compound
| Compound ID |
CP0905383
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| Compound Name |
2-(2-(4-chlorophenyl)-3-((4-(pyrazine-2-carbonyl)piperazin-1-yl)methyl)imidazo[1,2-a]pyridin-6-yl)benzonitrile
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| Structure |
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| Formula |
C30H24ClN7O
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| Molecular Weight |
534.023
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| Canonical SMILES |
N#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4cnccn4)CC3)n2c1
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| InChI |
InChI=1S/C30H24ClN7O/c31-24-8-5-21(6-9-24)29-27(20-36-13-15-37(16-14-36)30(39)26-18-33-11-12-34-26)38-19-23(7-10-28(38)35-29)25-4-2-1-3-22(25)17-32/h1-12,18-19H,13-16,20H2
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| InChIKey |
FFYYVVYSXZNFMG-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