General Information of the Compound
| Compound ID |
CP0462608
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| Compound Name |
3-(6-methoxypyridin-3-yl)-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridin-2-amine
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| Structure |
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| Formula |
C22H25N5O3S
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| Molecular Weight |
439.541
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| Canonical SMILES |
COc1ccc(cn1)-c1cc(cnc1N)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C22H25N5O3S/c1-26-9-11-27(12-10-26)31(28,29)19-6-3-16(4-7-19)18-13-20(22(23)25-15-18)17-5-8-21(30-2)24-14-17/h3-8,13-15H,9-12H2,1-2H3,(H2,23,25)
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| InChIKey |
FTTLKCFDTGUBNS-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