General Information of the Compound
| Compound ID |
CP0847305
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| Compound Name |
1-[1-(2-methoxyethanesulfonyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-4-methylpiperazine
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| Structure |
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| Formula |
C22H25F3N4O3S
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| Molecular Weight |
482.528
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| Canonical SMILES |
COCCS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCN(C)CC3)nc21
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| InChI |
InChI=1S/C22H25F3N4O3S/c1-27-9-11-28(12-10-27)20-15-19(16-3-5-17(6-4-16)22(23,24)25)18-7-8-29(21(18)26-20)33(30,31)14-13-32-2/h3-8,15H,9-14H2,1-2H3
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| InChIKey |
SSZMVCXZZWIPDF-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