General Information of the Compound
| Compound ID |
CP0575772
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| Compound Name |
4-(4-fluoro-2-methoxyphenyl)-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C19H19FN2O2
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| Molecular Weight |
326.371
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| Canonical SMILES |
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCOCC1
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| InChI |
InChI=1S/C19H19FN2O2/c1-23-18-10-13(20)2-3-15(18)14-4-7-21-19-16(14)11-17(22-19)12-5-8-24-9-6-12/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,21,22)
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| InChIKey |
RUJOXYSKOPZNFZ-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