General Information of the Compound
| Compound ID |
CP0075606
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| Compound Name |
4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-1-yl]benzoic acid
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| Structure |
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| Formula |
C21H12Cl2N2O3
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| Molecular Weight |
411.244
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccnc12
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| InChI |
InChI=1S/C21H12Cl2N2O3/c22-16-4-1-5-17(23)18(16)19(26)15-11-25(20-14(15)3-2-10-24-20)13-8-6-12(7-9-13)21(27)28/h1-11H,(H,27,28)
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| InChIKey |
KMYVFWIRTGQKMH-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