General Information of the Compound
| Compound ID |
CP0519608
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| Compound Name |
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-N-(2-phenylethyl)-1H-imidazol-2-amine
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| Structure |
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| Formula |
C27H26N4O3S
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| Molecular Weight |
486.597
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| Canonical SMILES |
COc1ccc2n(cc(-c3[nH]c(NCCc4ccccc4)nc3C)c2c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C27H26N4O3S/c1-19-26(30-27(29-19)28-16-15-20-9-5-3-6-10-20)24-18-31(25-14-13-21(34-2)17-23(24)25)35(32,33)22-11-7-4-8-12-22/h3-14,17-18H,15-16H2,1-2H3,(H2,28,29,30)
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| InChIKey |
JJMRPVGTDRDQOU-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01005, D(2) dopamine receptor