General Information of the Compound
| Compound ID |
CP0473651
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| Compound Name |
2-{3-[(4-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethylamine
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| Structure |
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| Formula |
C15H14FN3O2S
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| Molecular Weight |
319.361
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| Canonical SMILES |
NCCn1cc(c2cccnc12)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C15H14FN3O2S/c16-11-3-5-12(6-4-11)22(20,21)14-10-19(9-7-17)15-13(14)2-1-8-18-15/h1-6,8,10H,7,9,17H2
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| InChIKey |
COBUBWRKUSJNCX-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