General Information of the Compound
| Compound ID |
CP0090034
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| Compound Name |
4-[5-(3-cyanophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine-2-carbonitrile
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| Structure |
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| Formula |
C18H14N6O
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| Molecular Weight |
330.351
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| Canonical SMILES |
N#CC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
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| InChI |
InChI=1S/C18H14N6O/c19-7-12-2-1-3-13(6-12)15-9-21-17-16(15)18(23-11-22-17)24-4-5-25-14(8-20)10-24/h1-3,6,9,11,14H,4-5,10H2,(H,21,22,23)
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| InChIKey |
YDRMVAPJCHICGE-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