General Information of the Compound
| Compound ID |
CP0469356
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| Compound Name |
US11479539, Compound 22
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| Structure |
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| Formula |
C15H15BrN2O2
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| Molecular Weight |
335.201
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| Canonical SMILES |
COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncccc1Br
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| InChI |
InChI=1S/C15H15BrN2O2/c1-14(2)9-15(20-3,7-10(8-17)13(14)19)12-11(16)5-4-6-18-12/h4-7H,9H2,1-3H3
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| InChIKey |
GZPBVHCXCRZLJO-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