General Information of the Compound
| Compound ID |
CP0564393
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| Compound Name |
N-[2-(3-methylphenyl)pyridin-4-yl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
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| Formula |
C28H23N3O2S
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| Molecular Weight |
465.578
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| Canonical SMILES |
Cc1cccc(c1)-c1cc(Nc2ccnc3cc(ccc23)-c2ccc(cc2)S(C)(=O)=O)ccn1
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| InChI |
InChI=1S/C28H23N3O2S/c1-19-4-3-5-22(16-19)27-18-23(12-14-29-27)31-26-13-15-30-28-17-21(8-11-25(26)28)20-6-9-24(10-7-20)34(2,32)33/h3-18H,1-2H3,(H,29,30,31)
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| InChIKey |
VYDDFPZEAIUBBH-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