General Information of the Compound
| Compound ID |
CP0473914
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| Compound Name |
1-cyclohexylsulfonyl-6-(4-methylpiperazin-1-yl)-4-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C25H29F3N4O2S
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| Molecular Weight |
506.594
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| Canonical SMILES |
CN1CCN(CC1)c1cc(-c2ccc(cc2)C(F)(F)F)c2ccn(c2n1)S(=O)(=O)C1CCCCC1
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| InChI |
InChI=1S/C25H29F3N4O2S/c1-30-13-15-31(16-14-30)23-17-22(18-7-9-19(10-8-18)25(26,27)28)21-11-12-32(24(21)29-23)35(33,34)20-5-3-2-4-6-20/h7-12,17,20H,2-6,13-16H2,1H3
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| InChIKey |
MAQJPWRPCIFRMT-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