General Information of the Compound
| Compound ID |
CP0420831
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| Compound Name |
4-[1-(3-fluorophenyl)sulfonyl-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride
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| Structure |
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| Formula |
C19H18ClFN4O3S
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| Molecular Weight |
436.896
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| Canonical SMILES |
Cl.COc1ccc2n(cc(-c3[nH]c(N)nc3C)c2c1)S(=O)(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C19H17FN4O3S.ClH/c1-11-18(23-19(21)22-11)16-10-24(17-7-6-13(27-2)9-15(16)17)28(25,26)14-5-3-4-12(20)8-14;/h3-10H,1-2H3,(H3,21,22,23);1H
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| InChIKey |
WTSLCIOBJKGJPX-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7