General Information of the Compound
| Compound ID |
CP0271955
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| Compound Name |
2-isopropyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)imidazo[1,2-a]pyridine-8-carbonitrile
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| Structure |
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| Formula |
C24H21N3O3S
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| Molecular Weight |
431.517
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| Canonical SMILES |
CC(C)c1nc2c(cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C#N
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| InChI |
InChI=1S/C24H21N3O3S/c1-16(2)22-23(27-12-6-8-18(15-25)24(27)26-22)17-7-4-9-19(13-17)30-20-10-5-11-21(14-20)31(3,28)29/h4-14,16H,1-3H3
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| InChIKey |
VQRTZDLCUUUFRV-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