General Information of the Compound
| Compound ID |
CP0557270
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| Compound Name |
US8987473, 91
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| Structure |
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| Formula |
C20H21NO2
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| Molecular Weight |
307.393
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| Canonical SMILES |
CCc1cn(Cc2c(C)cccc2C)c2cc(ccc12)C(O)=O
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| InChI |
InChI=1S/C20H21NO2/c1-4-15-11-21(12-18-13(2)6-5-7-14(18)3)19-10-16(20(22)23)8-9-17(15)19/h5-11H,4,12H2,1-3H3,(H,22,23)
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| InChIKey |
UCAJMKKVUWHJLK-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