General Information of the Compound
| Compound ID |
CP0438422
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| Compound Name |
N-[5-methyl-4-(1-naphthalen-1-ylsulfonylindol-3-yl)-1H-imidazol-2-yl]propanamide
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| Structure |
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| Formula |
C25H22N4O3S
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| Molecular Weight |
458.543
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| Canonical SMILES |
CCC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccccc12)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H22N4O3S/c1-3-23(30)27-25-26-16(2)24(28-25)20-15-29(21-13-7-6-12-19(20)21)33(31,32)22-14-8-10-17-9-4-5-11-18(17)22/h4-15H,3H2,1-2H3,(H2,26,27,28,30)
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| InChIKey |
WAXBFCITEAKKMF-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: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor