General Information of the Compound
| Compound ID |
CP0503835
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| Compound Name |
US9133168, Example 42d
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| Structure |
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| Formula |
C19H19N5O3
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| Molecular Weight |
365.393
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)n1C#N)N1CCOCC1)N1CCc2ccccc12
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| InChI |
InChI=1S/C19H19N5O3/c20-13-24-17(21-16(11-19(24)26)22-7-9-27-10-8-22)12-18(25)23-6-5-14-3-1-2-4-15(14)23/h1-4,11H,5-10,12H2
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| InChIKey |
YEIDCTABJBHIEF-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