General Information of the Compound
| Compound ID |
CP0075569
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| Compound Name |
2-(6-(4-(4-amino-2-oxopyrimidin-1(2H)-yloxy)piperidin-1-yl)-5-fluoropyrimidin-4-yloxy)benzonitrile
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| Structure |
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| Formula |
C20H18FN7O3
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| Molecular Weight |
423.408
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| Canonical SMILES |
Nc1ccn(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2F)c(=O)n1
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| InChI |
InChI=1S/C20H18FN7O3/c21-17-18(24-12-25-19(17)30-15-4-2-1-3-13(15)11-22)27-8-5-14(6-9-27)31-28-10-7-16(23)26-20(28)29/h1-4,7,10,12,14H,5-6,8-9H2,(H2,23,26,29)
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| InChIKey |
QVDSNGZBECVWHI-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