General Information of the Compound
| Compound ID |
CP0547208
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| Compound Name |
3-methyl-6-methylsulfonyl-2-(4-phenoxypiperidin-1-yl)-5,7-dihydropyrrolo[3,4-b]pyridine
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| Structure |
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| Formula |
C20H25N3O3S
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| Molecular Weight |
387.505
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| Canonical SMILES |
Cc1cc2CN(Cc2nc1N1CCC(CC1)Oc1ccccc1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H25N3O3S/c1-15-12-16-13-23(27(2,24)25)14-19(16)21-20(15)22-10-8-18(9-11-22)26-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3
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| InChIKey |
IHLVHUWOUBYZMV-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