General Information of the Compound
| Compound ID |
CP0405509
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| Compound Name |
1-(3-(4-bromophenylsulfonyl)-1-(2-(dimethylamino)ethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl)ethanone
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| Structure |
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| Formula |
C19H20BrN3O3S
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| Molecular Weight |
450.358
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| Canonical SMILES |
CN(C)CCn1cc(c2nc(ccc12)C(C)=O)S(=O)(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C19H20BrN3O3S/c1-13(24)16-8-9-17-19(21-16)18(12-23(17)11-10-22(2)3)27(25,26)15-6-4-14(20)5-7-15/h4-9,12H,10-11H2,1-3H3
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| InChIKey |
MNSUYECFOJCVNY-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