General Information of the Compound
| Compound ID |
CP0475566
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| Compound Name |
6-(4-methylpiperazin-1-yl)-1-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C20H21F3N4O2S
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| Molecular Weight |
438.475
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| Canonical SMILES |
CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H21F3N4O2S/c1-25-9-11-26(12-10-25)18-13-17(14-3-5-15(6-4-14)20(21,22)23)16-7-8-27(19(16)24-18)30(2,28)29/h3-8,13H,9-12H2,1-2H3
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| InChIKey |
ITGAXTFBUHEDGL-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
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01005, D(2) dopamine receptor