General Information of the Compound
| Compound ID |
CP0517303
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| Compound Name |
4-[5-chloro-2-[[1-(1,3-oxazol-2-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile
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| Structure |
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| Formula |
C22H17ClN6O2
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| Molecular Weight |
432.871
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| Canonical SMILES |
Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(-c4ncco4)c3=O)cc2c1
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| InChI |
InChI=1S/C22H17ClN6O2/c23-16-3-4-18-15(11-16)12-17(27(18)9-2-1-6-24)14-28-20-13-25-7-5-19(20)29(22(28)30)21-26-8-10-31-21/h3-5,7-8,10-13H,1-2,9,14H2
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| InChIKey |
ORXXHSLMIYLEAZ-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