General Information of the Compound
| Compound ID |
CP0249438
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| Compound Name |
4-[3-(2-chloro-6-methylbenzoyl)pyrrolo[2,3-b]pyridin-1-yl]-3-fluorobenzoic acid
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| Structure |
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| Formula |
C22H14ClFN2O3
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| Molecular Weight |
408.816
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| Canonical SMILES |
Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2F)C(O)=O)c2ncccc12
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| InChI |
InChI=1S/C22H14ClFN2O3/c1-12-4-2-6-16(23)19(12)20(27)15-11-26(21-14(15)5-3-9-25-21)18-8-7-13(22(28)29)10-17(18)24/h2-11H,1H3,(H,28,29)
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| InChIKey |
RFGAQANPYWTJSL-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