General Information of the Compound
| Compound ID |
CP0280003
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| Compound Name |
3-[4-[2-(1,2-oxazol-5-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
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| Structure |
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| Formula |
C20H16N6O2
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| Molecular Weight |
372.388
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| Canonical SMILES |
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCOC(C3)c3ccno3)c12
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| InChI |
InChI=1S/C20H16N6O2/c21-9-13-2-1-3-14(8-13)15-10-22-19-18(15)20(24-12-23-19)26-6-7-27-17(11-26)16-4-5-25-28-16/h1-5,8,10,12,17H,6-7,11H2,(H,22,23,24)
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| InChIKey |
NERVYHZAYISIMC-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