General Information of the Compound
| Compound ID |
CP0377152
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| Compound Name |
4-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)-1-(2-methylpropylsulfonyl)pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C24H32N4O2S
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| Molecular Weight |
440.613
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| Canonical SMILES |
CCc1ccc(cc1)-c1cc(nc2n(ccc12)S(=O)(=O)CC(C)C)N1CCN(C)CC1
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| InChI |
InChI=1S/C24H32N4O2S/c1-5-19-6-8-20(9-7-19)22-16-23(27-14-12-26(4)13-15-27)25-24-21(22)10-11-28(24)31(29,30)17-18(2)3/h6-11,16,18H,5,12-15,17H2,1-4H3
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| InChIKey |
LBZMBFXUYVOEEN-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