General Information of the Compound
| Compound ID |
CP0417899
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)-5-bromophenyl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C23H21BrN2O5S
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| Molecular Weight |
517.401
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| Canonical SMILES |
Cc1c(Cc2cc(Br)ccc2S(=O)(=O)c2ccccc2)c2c(CCNC2=O)n1CC(O)=O
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| InChI |
InChI=1S/C23H21BrN2O5S/c1-14-18(22-19(9-10-25-23(22)29)26(14)13-21(27)28)12-15-11-16(24)7-8-20(15)32(30,31)17-5-3-2-4-6-17/h2-8,11H,9-10,12-13H2,1H3,(H,25,29)(H,27,28)
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| InChIKey |
PICNNOXVSOCUFK-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