General Information of the Compound
| Compound ID |
CP0448037
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| Compound Name |
6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C20H28N6O2S
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| Molecular Weight |
416.551
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| Canonical SMILES |
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cnn(C)c1
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| InChI |
InChI=1S/C20H28N6O2S/c1-15(2)14-29(27,28)26-6-5-17-18(16-12-21-24(4)13-16)11-19(22-20(17)26)25-9-7-23(3)8-10-25/h5-6,11-13,15H,7-10,14H2,1-4H3
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| InChIKey |
GOZJSPMFVMLNQD-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