General Information of the Compound
| Compound ID |
CP0855314
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| Compound Name |
2-(2-(4-chlorophenyl)-3-((4-isonicotinoylpiperazin-1-yl)methyl)imidazo[1,2-a]pyridin-6-yl)benzonitrile
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| Structure |
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| Formula |
C31H25ClN6O
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| Molecular Weight |
533.035
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| Canonical SMILES |
N#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4ccncc4)CC3)n2c1
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| InChI |
InChI=1S/C31H25ClN6O/c32-26-8-5-22(6-9-26)30-28(21-36-15-17-37(18-16-36)31(39)23-11-13-34-14-12-23)38-20-25(7-10-29(38)35-30)27-4-2-1-3-24(27)19-33/h1-14,20H,15-18,21H2
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| InChIKey |
QSFNIHYCIRCZGP-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