General Information of the Compound
| Compound ID |
CP0555891
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| Compound Name |
US9493412, 29
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| Structure |
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| Formula |
C21H22N2O5
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| Molecular Weight |
382.416
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| Canonical SMILES |
CN1CC(C(=O)NCCCOc2cccc(Oc3ccccc3)c2)=C(O)C1=O
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| InChI |
InChI=1S/C21H22N2O5/c1-23-14-18(19(24)21(23)26)20(25)22-11-6-12-27-16-9-5-10-17(13-16)28-15-7-3-2-4-8-15/h2-5,7-10,13,24H,6,11-12,14H2,1H3,(H,22,25)
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| InChIKey |
MFXMMMNYUBRPBP-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