General Information of the Compound
| Compound ID |
CP0462437
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| Compound Name |
6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)-4-(4-phenylmethoxyphenyl)pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C29H34N4O3S
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| Molecular Weight |
518.683
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| Canonical SMILES |
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C29H34N4O3S/c1-22(2)21-37(34,35)33-14-13-26-27(19-28(30-29(26)33)32-17-15-31(3)16-18-32)24-9-11-25(12-10-24)36-20-23-7-5-4-6-8-23/h4-14,19,22H,15-18,20-21H2,1-3H3
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| InChIKey |
POFPGNGXPMKIRD-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