General Information of the Compound
| Compound ID |
CP0554799
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| Compound Name |
US9493412, 22
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| Structure |
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| Formula |
C18H22N2O5
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| Molecular Weight |
346.383
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| Canonical SMILES |
CN1CC(C(=O)NCc2ccc(OC3CCOCC3)cc2)=C(O)C1=O
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| InChI |
InChI=1S/C18H22N2O5/c1-20-11-15(16(21)18(20)23)17(22)19-10-12-2-4-13(5-3-12)25-14-6-8-24-9-7-14/h2-5,14,21H,6-11H2,1H3,(H,19,22)
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| InChIKey |
VAOODWVCVHEQPM-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