General Information of the Compound
| Compound ID |
CP0579940
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| Compound Name |
4-[[4-[4-(4-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]methyl]morpholine
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| Structure |
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| Formula |
C25H24FN3O2
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| Molecular Weight |
417.484
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| Canonical SMILES |
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C25H24FN3O2/c1-30-24-14-19(26)6-7-21(24)20-8-9-27-25-22(20)15-23(28-25)18-4-2-17(3-5-18)16-29-10-12-31-13-11-29/h2-9,14-15H,10-13,16H2,1H3,(H,27,28)
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| InChIKey |
MVDJPUVLCKJATA-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