General Information of the Compound
| Compound ID |
CP0913211
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| Compound Name |
2-(2-(4-chlorophenyl)-3-((4-(2-methoxyacetyl)piperazin-1-yl)methyl)imidazo[1,2-a]pyridin-6-yl)benzonitrile
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| Structure |
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| Formula |
C28H26ClN5O2
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| Molecular Weight |
500.002
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| Canonical SMILES |
COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4C#N)cn23)CC1
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| InChI |
InChI=1S/C28H26ClN5O2/c1-36-19-27(35)33-14-12-32(13-15-33)18-25-28(20-6-9-23(29)10-7-20)31-26-11-8-22(17-34(25)26)24-5-3-2-4-21(24)16-30/h2-11,17H,12-15,18-19H2,1H3
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| InChIKey |
YVEOACJHZLNDIS-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