General Information of the Compound
| Compound ID |
CP0472072
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| Compound Name |
6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)-4-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C23H27F3N4O2S
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| Molecular Weight |
480.556
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| Canonical SMILES |
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C23H27F3N4O2S/c1-16(2)15-33(31,32)30-9-8-18-19(17-6-4-5-7-20(17)23(24,25)26)14-21(27-22(18)30)29-12-10-28(3)11-13-29/h4-9,14,16H,10-13,15H2,1-3H3
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| InChIKey |
FTQFFUFTPXRJIA-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