General Information of the Compound
| Compound ID |
CP0690827
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| Compound Name |
1-[1-(2-methylpropanesulfonyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]piperazine
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| Structure |
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| Formula |
C22H25F3N4O2S
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| Molecular Weight |
466.529
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| Canonical SMILES |
CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCNCC3)nc21
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| InChI |
InChI=1S/C22H25F3N4O2S/c1-15(2)14-32(30,31)29-10-7-18-19(16-3-5-17(6-4-16)22(23,24)25)13-20(27-21(18)29)28-11-8-26-9-12-28/h3-7,10,13,15,26H,8-9,11-12,14H2,1-2H3
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| InChIKey |
CRZWHAXESOORIJ-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2