General Information of the Compound
| Compound ID |
CP0566902
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| Compound Name |
7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-ylphenyl)pyridin-4-yl]quinolin-4-amine
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| Formula |
C30H27N3O2S
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| Molecular Weight |
493.632
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1cc(Nc2ccnc3cc(ccc23)-c2ccc(cc2)S(C)(=O)=O)ccn1
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| InChI |
InChI=1S/C30H27N3O2S/c1-20(2)21-4-6-23(7-5-21)29-19-25(14-16-31-29)33-28-15-17-32-30-18-24(10-13-27(28)30)22-8-11-26(12-9-22)36(3,34)35/h4-20H,1-3H3,(H,31,32,33)
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| InChIKey |
VUJRJPOHSZQOBV-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