General Information of the Compound
| Compound ID |
CP0534380
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| Compound Name |
N-[2-(furan-3-yl)pyridin-4-yl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
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| Formula |
C25H19N3O3S
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| Molecular Weight |
441.512
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1ccc2c(Nc3ccnc(c3)-c3ccoc3)ccnc2c1
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| InChI |
InChI=1S/C25H19N3O3S/c1-32(29,30)21-5-2-17(3-6-21)18-4-7-22-23(9-12-27-25(22)14-18)28-20-8-11-26-24(15-20)19-10-13-31-16-19/h2-16H,1H3,(H,26,27,28)
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| InChIKey |
PCPUDOGTYFUPFV-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