General Information of the Compound
| Compound ID |
CP0566903
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| Compound Name |
N-[2-(4-tert-butylphenyl)pyridin-4-yl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
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| Formula |
C31H29N3O2S
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| Molecular Weight |
507.659
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1cc(Nc2ccnc3cc(ccc23)-c2ccc(cc2)S(C)(=O)=O)ccn1
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| InChI |
InChI=1S/C31H29N3O2S/c1-31(2,3)24-10-5-22(6-11-24)29-20-25(15-17-32-29)34-28-16-18-33-30-19-23(9-14-27(28)30)21-7-12-26(13-8-21)37(4,35)36/h5-20H,1-4H3,(H,32,33,34)
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| InChIKey |
ROZDXWSUBYMZII-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