General Information of the Compound
| Compound ID |
CP0731627
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| Compound Name |
3-(4-((2-Oxa-7-azaspiro[3.5]nonan-7-yl)methyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']-dipyridine-6-carbonitrile
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| Structure |
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| Formula |
C25H23N5O
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| Molecular Weight |
409.493
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| Canonical SMILES |
N#Cc1cc2c(cn1)[nH]c1ncc(-c3ccc(CN4CCC5(CC4)COC5)cc3)cc12
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| InChI |
InChI=1S/C25H23N5O/c26-11-20-10-21-22-9-19(12-28-24(22)29-23(21)13-27-20)18-3-1-17(2-4-18)14-30-7-5-25(6-8-30)15-31-16-25/h1-4,9-10,12-13H,5-8,14-16H2,(H,28,29)
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| InChIKey |
RWFYAMVEFZZVDS-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