General Information of the Compound
| Compound ID |
CP0438204
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| Compound Name |
2-[2-methyl-1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C18H15F3N2O4S
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| Molecular Weight |
412.389
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| Canonical SMILES |
Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(=O)(=O)C(F)(F)F
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| InChI |
InChI=1S/C18H15F3N2O4S/c1-11-15(9-16(24)25)14-3-2-8-22-17(14)23(11)10-12-4-6-13(7-5-12)28(26,27)18(19,20)21/h2-8H,9-10H2,1H3,(H,24,25)
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| InChIKey |
XTDBCVHBEDQJAK-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