General Information of the Compound
| Compound ID |
CP0467695
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| Compound Name |
US11479539, Compound 25
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| Structure |
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| Formula |
C19H20N4O2
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| Molecular Weight |
336.395
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| Canonical SMILES |
COC1(CC(C)(C)C(=O)C(=C1)C#N)c1cccnc1-c1cnn(C)c1
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| InChI |
InChI=1S/C19H20N4O2/c1-18(2)12-19(25-4,8-13(9-20)17(18)24)15-6-5-7-21-16(15)14-10-22-23(3)11-14/h5-8,10-11H,12H2,1-4H3
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| InChIKey |
PHNDKUXYYXVXMQ-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