General Information of the Compound
| Compound ID |
CP0549220
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| Compound Name |
4-(1H-indol-5-yl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C24H29N5O2S
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| Molecular Weight |
451.596
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| Canonical SMILES |
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc2[nH]ccc2c1
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| InChI |
InChI=1S/C24H29N5O2S/c1-17(2)16-32(30,31)29-9-7-20-21(18-4-5-22-19(14-18)6-8-25-22)15-23(26-24(20)29)28-12-10-27(3)11-13-28/h4-9,14-15,17,25H,10-13,16H2,1-3H3
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| InChIKey |
PRQQYPXIMIPIPH-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