General Information of the Compound
| Compound ID |
CP0557422
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| Compound Name |
US9315498, 28
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| Structure |
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| Formula |
C20H20N2O2
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| Molecular Weight |
320.392
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| Canonical SMILES |
CC1(C)OC(=O)N(c2ccc(cn2)C#Cc2ccccc2)C1(C)C
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| InChI |
InChI=1S/C20H20N2O2/c1-19(2)20(3,4)24-18(23)22(19)17-13-12-16(14-21-17)11-10-15-8-6-5-7-9-15/h5-9,12-14H,1-4H3
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| InChIKey |
RGDFQXNMPLXTLJ-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