General Information of the Compound
| Compound ID |
CP0477752
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| Compound Name |
2-[3-[[5-chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]acetonitrile
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| Structure |
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| Formula |
C21H20ClN5O3S
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| Molecular Weight |
457.943
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| Canonical SMILES |
CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(CC#N)c2=O)cc2cc(Cl)ccc12
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| InChI |
InChI=1S/C21H20ClN5O3S/c1-31(29,30)10-2-8-25-17(12-15-11-16(22)3-4-18(15)25)14-27-20-13-24-7-5-19(20)26(9-6-23)21(27)28/h3-5,7,11-13H,2,8-10,14H2,1H3
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| InChIKey |
VRQYHFYVTFXBER-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