General Information of the Compound
| Compound ID |
CP0093674
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| Compound Name |
3-(3-bromo-benzenesulfonyl)-1-(1-methyl-pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C18H18BrN3O2S
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| Molecular Weight |
420.332
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| Canonical SMILES |
CN1CCC(C1)n1cc(c2cccnc12)S(=O)(=O)c1cccc(Br)c1
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| InChI |
InChI=1S/C18H18BrN3O2S/c1-21-9-7-14(11-21)22-12-17(16-6-3-8-20-18(16)22)25(23,24)15-5-2-4-13(19)10-15/h2-6,8,10,12,14H,7,9,11H2,1H3
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| InChIKey |
AZMWVAJCQCQPGQ-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