General Information of the Compound
| Compound ID |
CP0961574
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| Compound Name |
4-[4-(5-fluoro-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylsulfonyl-cyclohex-3-ene-1-carboxamide
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| Structure |
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| Formula |
C22H22FN3O4S
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| Molecular Weight |
443.5
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| Canonical SMILES |
COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCC(C(=O)NS(C)(=O)=O)CC3)cc12
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| InChI |
InChI=1S/C22H22FN3O4S/c1-30-20-8-7-15(23)11-17(20)16-9-10-24-21-18(16)12-19(25-21)13-3-5-14(6-4-13)22(27)26-31(2,28)29/h3,7-12,14H,4-6H2,1-2H3,(H,24,25)(H,26,27)
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| InChIKey |
UNBHOJAPGUTPPG-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