General Information of the Compound
| Compound ID |
CP0190640
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| Compound Name |
1-[(4-tert-butylphenyl)methyl]-6-chloropyrrolo[3,2-b]pyridine-2-carboxylic acid
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| Structure |
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| Formula |
C19H19ClN2O2
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| Molecular Weight |
342.826
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| Canonical SMILES |
CC(C)(C)c1ccc(Cn2c(cc3ncc(Cl)cc23)C(O)=O)cc1
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| InChI |
InChI=1S/C19H19ClN2O2/c1-19(2,3)13-6-4-12(5-7-13)11-22-16-8-14(20)10-21-15(16)9-17(22)18(23)24/h4-10H,11H2,1-3H3,(H,23,24)
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| InChIKey |
WADFCGOZQFPMDL-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