General Information of the Compound
| Compound ID |
CP0557563
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| Compound Name |
US8987473, 147
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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 |
CC(C)c1nn(Cc2c(C)cccc2C)c2cc(CC(O)=O)ccc12
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| InChI |
InChI=1S/C21H24N2O2/c1-13(2)21-17-9-8-16(11-20(24)25)10-19(17)23(22-21)12-18-14(3)6-5-7-15(18)4/h5-10,13H,11-12H2,1-4H3,(H,24,25)
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| InChIKey |
CHZBOAVQOZQUER-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