General Information of the Compound
| Compound ID |
CP0388399
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| Compound Name |
2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)-N,N-dimethylethanamine
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| Structure |
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| Formula |
C17H18FN3O2S
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| Molecular Weight |
347.415
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| Canonical SMILES |
CN(C)CCn1cc(c2ncccc12)S(=O)(=O)c1cccc(F)c1
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| InChI |
InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(17-15(21)7-4-8-19-17)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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| InChIKey |
FSSQXFSCBKIVIB-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