General Information of the Compound
| Compound ID |
CP0519324
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| Compound Name |
2-[(2-chlorophenyl)-[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
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| Structure |
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| Formula |
C22H22ClF2N3O3
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| Molecular Weight |
449.885
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| Canonical SMILES |
OC(=O)c1ccnc2cc([nH]c12)C(OCCN1CCC(F)(F)CC1)c1ccccc1Cl
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| InChI |
InChI=1S/C22H22ClF2N3O3/c23-16-4-2-1-3-14(16)20(31-12-11-28-9-6-22(24,25)7-10-28)18-13-17-19(27-18)15(21(29)30)5-8-26-17/h1-5,8,13,20,27H,6-7,9-12H2,(H,29,30)
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| InChIKey |
QCUMGQXPGZQHID-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