General Information of the Compound
| Compound ID |
CP0053899
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| Compound Name |
US9388139, 23
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| Structure |
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| Formula |
C21H24N2O2
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| Molecular Weight |
336.435
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| Canonical SMILES |
Cc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)C(C)(C)C
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| InChI |
InChI=1S/C21H24N2O2/c1-14-5-7-15(8-6-14)18-13-19(21(2,3)4)22-23(18)17-11-9-16(10-12-17)20(24)25/h5-12,18H,13H2,1-4H3,(H,24,25)
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| InChIKey |
MJSWJWIRIXUTEM-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